4-N-(2-aminoethyl)-1-N-butan-2-yl-4-N-butyl-3-ethyl-4-methylhexane-1,4-diamine

C19H43N3 — CID 88952934

IUPAC4-N-(2-aminoethyl)-1-N-butan-2-yl-4-N-butyl-3-ethyl-4-methylhexane-1,4-diamine
SMILESCCCCN(CCN)C(C)(CC)C(CC)CCNC(C)CC
InChIInChI=1S/C19H43N3/c1-7-11-15-22(16-13-20)19(6,10-4)18(9-3)12-14-21-17(5)8-2/h17-18,21H,7-16,20H2,1-6H3
InChIKeyVWZMCXRGKJHZGJ-UHFFFAOYSA-N
MW313.57 g/mol
LogP4.02
Rot. Bonds14

About 4-N-(2-aminoethyl)-1-N-butan-2-yl-4-N-butyl-3-ethyl-4-methylhexane-1,4-diamine

4-N-(2-aminoethyl)-1-N-butan-2-yl-4-N-butyl-3-ethyl-4-methylhexane-1,4-diamine (PubChem CID 88952934) has the molecular formula C19H43N3 and a molecular weight of 313.57 g/mol. Its IUPAC name is 4-N-(2-aminoethyl)-1-N-butan-2-yl-4-N-butyl-3-ethyl-4-methylhexane-1,4-diamine.

Molecular Properties

Compound Name4-N-(2-aminoethyl)-1-N-butan-2-yl-4-N-butyl-3-ethyl-4-methylhexane-1,4-diamine
PubChem CID88952934
Molecular FormulaC19H43N3
Molecular Weight313.57 g/mol
Exact Mass313.35
IUPAC Name4-N-(2-aminoethyl)-1-N-butan-2-yl-4-N-butyl-3-ethyl-4-methylhexane-1,4-diamine
SMILESCCCCN(CCN)C(C)(CC)C(CC)CCNC(C)CC
InChIInChI=1S/C19H43N3/c1-7-11-15-22(16-13-20)19(6,10-4)18(9-3)12-14-21-17(5)8-2/h17-18,21H,7-16,20H2,1-6H3
InChIKeyVWZMCXRGKJHZGJ-UHFFFAOYSA-N
XLogP4.02
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.57
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-N-(2-aminoethyl)-1-N-butan-2-yl-4-N-butyl-3-ethyl-4-methylhexane-1,4-diamine?
The IUPAC name of 4-N-(2-aminoethyl)-1-N-butan-2-yl-4-N-butyl-3-ethyl-4-methylhexane-1,4-diamine (CID 88952934) is 4-N-(2-aminoethyl)-1-N-butan-2-yl-4-N-butyl-3-ethyl-4-methylhexane-1,4-diamine.
What is the SMILES notation for 4-N-(2-aminoethyl)-1-N-butan-2-yl-4-N-butyl-3-ethyl-4-methylhexane-1,4-diamine?
The canonical SMILES for 4-N-(2-aminoethyl)-1-N-butan-2-yl-4-N-butyl-3-ethyl-4-methylhexane-1,4-diamine is CCCCN(CCN)C(C)(CC)C(CC)CCNC(C)CC.
What is the InChIKey of 4-N-(2-aminoethyl)-1-N-butan-2-yl-4-N-butyl-3-ethyl-4-methylhexane-1,4-diamine?
The InChIKey is VWZMCXRGKJHZGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H43N3/c1-7-11-15-22(16-13-20)19(6,10-4)18(9-3)12-14-21-17(5)8-2/h17-18,21H,7-16,20H2,1-6H3.
What are the key properties of 4-N-(2-aminoethyl)-1-N-butan-2-yl-4-N-butyl-3-ethyl-4-methylhexane-1,4-diamine?
4-N-(2-aminoethyl)-1-N-butan-2-yl-4-N-butyl-3-ethyl-4-methylhexane-1,4-diamine has a molecular weight of 313.57 g/mol, XLogP of 4.02, 14 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-aminoethyl)-1-N-butan-2-yl-4-N-butyl-3-ethyl-4-methylhexane-1,4-diamine is sourced from PubChem (CID 88952934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).