N'-[2-[2-[2-[2-[2-(butan-2-ylamino)ethylamino]ethylamino]ethylamino]ethylamino]ethyl]ethane-1,2-diamine

C16H41N7 — CID 130342854

IUPACN'-[2-[2-[2-[2-[2-(butan-2-ylamino)ethylamino]ethylamino]ethylamino]ethylamino]ethyl]ethane-1,2-diamine
SMILESCCC(C)NCCNCCNCCNCCNCCNCCN
InChIInChI=1S/C16H41N7/c1-3-16(2)23-15-14-22-13-12-21-11-10-20-9-8-19-7-6-18-5-4-17/h16,18-23H,3-15,17H2,1-2H3
InChIKeyFBYHLJOJHPFJJW-UHFFFAOYSA-N
MW331.55 g/mol
LogP-1.72
Rot. Bonds19

About N'-[2-[2-[2-[2-[2-(butan-2-ylamino)ethylamino]ethylamino]ethylamino]ethylamino]ethyl]ethane-1,2-diamine

N'-[2-[2-[2-[2-[2-(butan-2-ylamino)ethylamino]ethylamino]ethylamino]ethylamino]ethyl]ethane-1,2-diamine (PubChem CID 130342854) has the molecular formula C16H41N7 and a molecular weight of 331.55 g/mol. Its IUPAC name is N'-[2-[2-[2-[2-[2-(butan-2-ylamino)ethylamino]ethylamino]ethylamino]ethylamino]ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-[2-[2-[2-[2-(butan-2-ylamino)ethylamino]ethylamino]ethylamino]ethylamino]ethyl]ethane-1,2-diamine
PubChem CID130342854
Molecular FormulaC16H41N7
Molecular Weight331.55 g/mol
Exact Mass331.34
IUPAC NameN'-[2-[2-[2-[2-[2-(butan-2-ylamino)ethylamino]ethylamino]ethylamino]ethylamino]ethyl]ethane-1,2-diamine
SMILESCCC(C)NCCNCCNCCNCCNCCNCCN
InChIInChI=1S/C16H41N7/c1-3-16(2)23-15-14-22-13-12-21-11-10-20-9-8-19-7-6-18-5-4-17/h16,18-23H,3-15,17H2,1-2H3
InChIKeyFBYHLJOJHPFJJW-UHFFFAOYSA-N
XLogP-1.72
TPSA98.20 Ų
H-Bond Donors7
H-Bond Acceptors7
Rotatable Bonds19
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.55
LogP ≤ 5-1.72
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N'-[2-[2-[2-[2-[2-(butan-2-ylamino)ethylamino]ethylamino]ethylamino]ethylamino]ethyl]ethane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-butan-2-ylethane-1,2-diamine;ethane
CID 142992990
CID 172753617
CID 172753617
N'-[2-(butan-2-ylamino)ethyl]-N-[2-(propan-2-ylamino)ethyl]ethane-1,2-diamine
CID 88982125
N'-[2-[2-[2-(propan-2-ylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine
CID 87748300
N'-butan-2-yl-N-ethylethane-1,2-diamine
CID 44630785
1-N-(2-aminoethyl)-1-N'-[2-(2-aminoethylamino)ethyl]ethane-1,1-diamine
CID 18468827
N-(3-fluoropropyl)butan-2-amine
CID 81107286
2-methylpropan-1-amine;N'-[2-(propan-2-ylamino)ethyl]ethane-1,2-diamine;N'-propan-2-ylethane-1,2-diamine
CID 157159870
N'-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine;N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine;N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;N'-(2-aminoethyl)ethane-1,2-diamine
CID 159410169
N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine
CID 5565
N-butan-2-yl-N'-heptan-2-ylethane-1,2-diamine
CID 61465971
N'-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine;pentahydrochloride
CID 10150970

Frequently Asked Questions

What is the IUPAC name of N'-[2-[2-[2-[2-[2-(butan-2-ylamino)ethylamino]ethylamino]ethylamino]ethylamino]ethyl]ethane-1,2-diamine?
The IUPAC name of N'-[2-[2-[2-[2-[2-(butan-2-ylamino)ethylamino]ethylamino]ethylamino]ethylamino]ethyl]ethane-1,2-diamine (CID 130342854) is N'-[2-[2-[2-[2-[2-(butan-2-ylamino)ethylamino]ethylamino]ethylamino]ethylamino]ethyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[2-[2-[2-[2-[2-(butan-2-ylamino)ethylamino]ethylamino]ethylamino]ethylamino]ethyl]ethane-1,2-diamine?
The canonical SMILES for N'-[2-[2-[2-[2-[2-(butan-2-ylamino)ethylamino]ethylamino]ethylamino]ethylamino]ethyl]ethane-1,2-diamine is CCC(C)NCCNCCNCCNCCNCCNCCN.
What is the InChIKey of N'-[2-[2-[2-[2-[2-(butan-2-ylamino)ethylamino]ethylamino]ethylamino]ethylamino]ethyl]ethane-1,2-diamine?
The InChIKey is FBYHLJOJHPFJJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H41N7/c1-3-16(2)23-15-14-22-13-12-21-11-10-20-9-8-19-7-6-18-5-4-17/h16,18-23H,3-15,17H2,1-2H3.
What are the key properties of N'-[2-[2-[2-[2-[2-(butan-2-ylamino)ethylamino]ethylamino]ethylamino]ethylamino]ethyl]ethane-1,2-diamine?
N'-[2-[2-[2-[2-[2-(butan-2-ylamino)ethylamino]ethylamino]ethylamino]ethylamino]ethyl]ethane-1,2-diamine has a molecular weight of 331.55 g/mol, XLogP of -1.72, 19 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[2-[2-[2-[2-(butan-2-ylamino)ethylamino]ethylamino]ethylamino]ethylamino]ethyl]ethane-1,2-diamine is sourced from PubChem (CID 130342854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).