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

C13H32N4 — CID 88982125

IUPACN'-[2-(butan-2-ylamino)ethyl]-N-[2-(propan-2-ylamino)ethyl]ethane-1,2-diamine
SMILESCCC(C)NCCNCCNCCNC(C)C
InChIInChI=1S/C13H32N4/c1-5-13(4)17-11-9-15-7-6-14-8-10-16-12(2)3/h12-17H,5-11H2,1-4H3
InChIKeyRKMHTEWVSZAJQW-UHFFFAOYSA-N
MW244.43 g/mol
LogP0.55
Rot. Bonds12

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

N'-[2-(butan-2-ylamino)ethyl]-N-[2-(propan-2-ylamino)ethyl]ethane-1,2-diamine (PubChem CID 88982125) has the molecular formula C13H32N4 and a molecular weight of 244.43 g/mol. Its IUPAC name is N'-[2-(butan-2-ylamino)ethyl]-N-[2-(propan-2-ylamino)ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-(butan-2-ylamino)ethyl]-N-[2-(propan-2-ylamino)ethyl]ethane-1,2-diamine
PubChem CID88982125
Molecular FormulaC13H32N4
Molecular Weight244.43 g/mol
Exact Mass244.26
IUPAC NameN'-[2-(butan-2-ylamino)ethyl]-N-[2-(propan-2-ylamino)ethyl]ethane-1,2-diamine
SMILESCCC(C)NCCNCCNCCNC(C)C
InChIInChI=1S/C13H32N4/c1-5-13(4)17-11-9-15-7-6-14-8-10-16-12(2)3/h12-17H,5-11H2,1-4H3
InChIKeyRKMHTEWVSZAJQW-UHFFFAOYSA-N
XLogP0.55
TPSA48.12 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.43
LogP ≤ 50.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[2-(butan-2-ylamino)ethyl]-N-[2-(propan-2-ylamino)ethyl]ethane-1,2-diamine?
The IUPAC name of N'-[2-(butan-2-ylamino)ethyl]-N-[2-(propan-2-ylamino)ethyl]ethane-1,2-diamine (CID 88982125) is N'-[2-(butan-2-ylamino)ethyl]-N-[2-(propan-2-ylamino)ethyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[2-(butan-2-ylamino)ethyl]-N-[2-(propan-2-ylamino)ethyl]ethane-1,2-diamine?
The canonical SMILES for N'-[2-(butan-2-ylamino)ethyl]-N-[2-(propan-2-ylamino)ethyl]ethane-1,2-diamine is CCC(C)NCCNCCNCCNC(C)C.
What is the InChIKey of N'-[2-(butan-2-ylamino)ethyl]-N-[2-(propan-2-ylamino)ethyl]ethane-1,2-diamine?
The InChIKey is RKMHTEWVSZAJQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H32N4/c1-5-13(4)17-11-9-15-7-6-14-8-10-16-12(2)3/h12-17H,5-11H2,1-4H3.
What are the key properties of N'-[2-(butan-2-ylamino)ethyl]-N-[2-(propan-2-ylamino)ethyl]ethane-1,2-diamine?
N'-[2-(butan-2-ylamino)ethyl]-N-[2-(propan-2-ylamino)ethyl]ethane-1,2-diamine has a molecular weight of 244.43 g/mol, XLogP of 0.55, 12 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(butan-2-ylamino)ethyl]-N-[2-(propan-2-ylamino)ethyl]ethane-1,2-diamine is sourced from PubChem (CID 88982125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).