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

C11H29N5 — CID 87748300

IUPACN'-[2-[2-[2-(propan-2-ylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine
SMILESCC(C)NCCNCCNCCNCCN
InChIInChI=1S/C11H29N5/c1-11(2)16-10-9-15-8-7-14-6-5-13-4-3-12/h11,13-16H,3-10,12H2,1-2H3
InChIKeyCCPRTAOYVUPTFU-UHFFFAOYSA-N
MW231.39 g/mol
LogP-1.29
Rot. Bonds12

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

N'-[2-[2-[2-(propan-2-ylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine (PubChem CID 87748300) has the molecular formula C11H29N5 and a molecular weight of 231.39 g/mol. Its IUPAC name is N'-[2-[2-[2-(propan-2-ylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-[2-[2-(propan-2-ylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine
PubChem CID87748300
Molecular FormulaC11H29N5
Molecular Weight231.39 g/mol
Exact Mass231.24
IUPAC NameN'-[2-[2-[2-(propan-2-ylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine
SMILESCC(C)NCCNCCNCCNCCN
InChIInChI=1S/C11H29N5/c1-11(2)16-10-9-15-8-7-14-6-5-13-4-3-12/h11,13-16H,3-10,12H2,1-2H3
InChIKeyCCPRTAOYVUPTFU-UHFFFAOYSA-N
XLogP-1.29
TPSA74.14 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.39
LogP ≤ 5-1.29
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-methylpropan-1-amine;N'-[2-(propan-2-ylamino)ethyl]ethane-1,2-diamine;N'-propan-2-ylethane-1,2-diamine
CID 157159870
1-N-(2-aminoethyl)-1-N'-[2-(2-aminoethylamino)ethyl]ethane-1,1-diamine
CID 18468827
N'-(2-aminoethyl)-N-[5-(propan-2-ylamino)pentyl]pentane-1,5-diamine;N'-[5-[5-(propan-2-ylamino)pentylamino]pentyl]pentane-1,5-diamine;N'-[5-(propan-2-ylamino)pentyl]pentane-1,5-diamine;N'-[3-(propan-2-ylamino)propyl]butane-1,4-diamine;N'-[3-(propan-2-ylamino)propyl]octane-1,8-diamine
CID 158904101
N'-[2-[2-[2-[2-[2-(butan-2-ylamino)ethylamino]ethylamino]ethylamino]ethylamino]ethyl]ethane-1,2-diamine
CID 130342854
N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine
CID 5565
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-ethyl-N'-[2-(propan-2-ylamino)ethyl]ethane-1,2-diamine
CID 126619829
N'-propan-2-yloctane-1,8-diamine
CID 138605826
N'-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine;pentahydrochloride
CID 10150970
N'-[2-(butan-2-ylamino)ethyl]-N-[2-(propan-2-ylamino)ethyl]ethane-1,2-diamine
CID 88982125
CID 158321019
CID 158321019
N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;ethene
CID 159799374

Frequently Asked Questions

What is the IUPAC name of N'-[2-[2-[2-(propan-2-ylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine?
The IUPAC name of N'-[2-[2-[2-(propan-2-ylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine (CID 87748300) is N'-[2-[2-[2-(propan-2-ylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[2-[2-[2-(propan-2-ylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine?
The canonical SMILES for N'-[2-[2-[2-(propan-2-ylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine is CC(C)NCCNCCNCCNCCN.
What is the InChIKey of N'-[2-[2-[2-(propan-2-ylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine?
The InChIKey is CCPRTAOYVUPTFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H29N5/c1-11(2)16-10-9-15-8-7-14-6-5-13-4-3-12/h11,13-16H,3-10,12H2,1-2H3.
What are the key properties of N'-[2-[2-[2-(propan-2-ylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine?
N'-[2-[2-[2-(propan-2-ylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine has a molecular weight of 231.39 g/mol, XLogP of -1.29, 12 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[2-[2-(propan-2-ylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine is sourced from PubChem (CID 87748300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).