N-(5-aminopent-1-en-2-yl)-N',N'-dimethylheptane-1,7-diamine

C14H31N3 — CID 134217052

IUPACN-(5-aminopent-1-en-2-yl)-N',N'-dimethylheptane-1,7-diamine
SMILESC=C(CCCN)NCCCCCCCN(C)C
InChIInChI=1S/C14H31N3/c1-14(10-9-11-15)16-12-7-5-4-6-8-13-17(2)3/h16H,1,4-13,15H2,2-3H3
InChIKeyZKXZXTWHNATHHY-UHFFFAOYSA-N
MW241.42 g/mol
LogP2.34
Rot. Bonds12

About N-(5-aminopent-1-en-2-yl)-N',N'-dimethylheptane-1,7-diamine

N-(5-aminopent-1-en-2-yl)-N',N'-dimethylheptane-1,7-diamine (PubChem CID 134217052) has the molecular formula C14H31N3 and a molecular weight of 241.42 g/mol. Its IUPAC name is N-(5-aminopent-1-en-2-yl)-N',N'-dimethylheptane-1,7-diamine.

Molecular Properties

Compound NameN-(5-aminopent-1-en-2-yl)-N',N'-dimethylheptane-1,7-diamine
PubChem CID134217052
Molecular FormulaC14H31N3
Molecular Weight241.42 g/mol
Exact Mass241.25
IUPAC NameN-(5-aminopent-1-en-2-yl)-N',N'-dimethylheptane-1,7-diamine
SMILESC=C(CCCN)NCCCCCCCN(C)C
InChIInChI=1S/C14H31N3/c1-14(10-9-11-15)16-12-7-5-4-6-8-13-17(2)3/h16H,1,4-13,15H2,2-3H3
InChIKeyZKXZXTWHNATHHY-UHFFFAOYSA-N
XLogP2.34
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(5-aminopent-1-en-2-yl)-N',N'-dimethylheptane-1,7-diamine?
The IUPAC name of N-(5-aminopent-1-en-2-yl)-N',N'-dimethylheptane-1,7-diamine (CID 134217052) is N-(5-aminopent-1-en-2-yl)-N',N'-dimethylheptane-1,7-diamine.
What is the SMILES notation for N-(5-aminopent-1-en-2-yl)-N',N'-dimethylheptane-1,7-diamine?
The canonical SMILES for N-(5-aminopent-1-en-2-yl)-N',N'-dimethylheptane-1,7-diamine is C=C(CCCN)NCCCCCCCN(C)C.
What is the InChIKey of N-(5-aminopent-1-en-2-yl)-N',N'-dimethylheptane-1,7-diamine?
The InChIKey is ZKXZXTWHNATHHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3/c1-14(10-9-11-15)16-12-7-5-4-6-8-13-17(2)3/h16H,1,4-13,15H2,2-3H3.
What are the key properties of N-(5-aminopent-1-en-2-yl)-N',N'-dimethylheptane-1,7-diamine?
N-(5-aminopent-1-en-2-yl)-N',N'-dimethylheptane-1,7-diamine has a molecular weight of 241.42 g/mol, XLogP of 2.34, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-aminopent-1-en-2-yl)-N',N'-dimethylheptane-1,7-diamine is sourced from PubChem (CID 134217052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).