6-N-[2-(2-ethenylpyrrolidin-1-yl)prop-2-enyl]hept-6-ene-1,6-diamine

C16H29N3 — CID 155158036

IUPAC6-N-[2-(2-ethenylpyrrolidin-1-yl)prop-2-enyl]hept-6-ene-1,6-diamine
SMILESC=CC1CCCN1C(=C)CNC(=C)CCCCCN
InChIInChI=1S/C16H29N3/c1-4-16-10-8-12-19(16)15(3)13-18-14(2)9-6-5-7-11-17/h4,16,18H,1-3,5-13,17H2
InChIKeySYUYHQWNQSSIIW-UHFFFAOYSA-N
MW263.43 g/mol
LogP2.77
Rot. Bonds10

About 6-N-[2-(2-ethenylpyrrolidin-1-yl)prop-2-enyl]hept-6-ene-1,6-diamine

6-N-[2-(2-ethenylpyrrolidin-1-yl)prop-2-enyl]hept-6-ene-1,6-diamine (PubChem CID 155158036) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is 6-N-[2-(2-ethenylpyrrolidin-1-yl)prop-2-enyl]hept-6-ene-1,6-diamine.

Molecular Properties

Compound Name6-N-[2-(2-ethenylpyrrolidin-1-yl)prop-2-enyl]hept-6-ene-1,6-diamine
PubChem CID155158036
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC Name6-N-[2-(2-ethenylpyrrolidin-1-yl)prop-2-enyl]hept-6-ene-1,6-diamine
SMILESC=CC1CCCN1C(=C)CNC(=C)CCCCCN
InChIInChI=1S/C16H29N3/c1-4-16-10-8-12-19(16)15(3)13-18-14(2)9-6-5-7-11-17/h4,16,18H,1-3,5-13,17H2
InChIKeySYUYHQWNQSSIIW-UHFFFAOYSA-N
XLogP2.77
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-N-[2-(2-ethenylpyrrolidin-1-yl)prop-2-enyl]hept-6-ene-1,6-diamine?
The IUPAC name of 6-N-[2-(2-ethenylpyrrolidin-1-yl)prop-2-enyl]hept-6-ene-1,6-diamine (CID 155158036) is 6-N-[2-(2-ethenylpyrrolidin-1-yl)prop-2-enyl]hept-6-ene-1,6-diamine.
What is the SMILES notation for 6-N-[2-(2-ethenylpyrrolidin-1-yl)prop-2-enyl]hept-6-ene-1,6-diamine?
The canonical SMILES for 6-N-[2-(2-ethenylpyrrolidin-1-yl)prop-2-enyl]hept-6-ene-1,6-diamine is C=CC1CCCN1C(=C)CNC(=C)CCCCCN.
What is the InChIKey of 6-N-[2-(2-ethenylpyrrolidin-1-yl)prop-2-enyl]hept-6-ene-1,6-diamine?
The InChIKey is SYUYHQWNQSSIIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-4-16-10-8-12-19(16)15(3)13-18-14(2)9-6-5-7-11-17/h4,16,18H,1-3,5-13,17H2.
What are the key properties of 6-N-[2-(2-ethenylpyrrolidin-1-yl)prop-2-enyl]hept-6-ene-1,6-diamine?
6-N-[2-(2-ethenylpyrrolidin-1-yl)prop-2-enyl]hept-6-ene-1,6-diamine has a molecular weight of 263.43 g/mol, XLogP of 2.77, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[2-(2-ethenylpyrrolidin-1-yl)prop-2-enyl]hept-6-ene-1,6-diamine is sourced from PubChem (CID 155158036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).