(E)-N-[2-[1-[2-(2-methylprop-2-enylideneamino)ethyl]cyclopentyl]ethyl]prop-1-en-1-amine

C16H28N2 — CID 146542561

IUPAC(E)-N-[2-[1-[2-(2-methylprop-2-enylideneamino)ethyl]cyclopentyl]ethyl]prop-1-en-1-amine
SMILESC=C(C)/C=N/CCC1(CCN/C=C/C)CCCC1
InChIInChI=1S/C16H28N2/c1-4-11-17-12-9-16(7-5-6-8-16)10-13-18-14-15(2)3/h4,11,14,17H,2,5-10,12-13H2,1,3H3/b11-4+,18-14+
InChIKeyFNWZHPLJJONASK-QQFWEQCRSA-N
MW248.41 g/mol
LogP4.10
Rot. Bonds8

About (E)-N-[2-[1-[2-(2-methylprop-2-enylideneamino)ethyl]cyclopentyl]ethyl]prop-1-en-1-amine

(E)-N-[2-[1-[2-(2-methylprop-2-enylideneamino)ethyl]cyclopentyl]ethyl]prop-1-en-1-amine (PubChem CID 146542561) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is (E)-N-[2-[1-[2-(2-methylprop-2-enylideneamino)ethyl]cyclopentyl]ethyl]prop-1-en-1-amine.

Molecular Properties

Compound Name(E)-N-[2-[1-[2-(2-methylprop-2-enylideneamino)ethyl]cyclopentyl]ethyl]prop-1-en-1-amine
PubChem CID146542561
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC Name(E)-N-[2-[1-[2-(2-methylprop-2-enylideneamino)ethyl]cyclopentyl]ethyl]prop-1-en-1-amine
SMILESC=C(C)/C=N/CCC1(CCN/C=C/C)CCCC1
InChIInChI=1S/C16H28N2/c1-4-11-17-12-9-16(7-5-6-8-16)10-13-18-14-15(2)3/h4,11,14,17H,2,5-10,12-13H2,1,3H3/b11-4+,18-14+
InChIKeyFNWZHPLJJONASK-QQFWEQCRSA-N
XLogP4.10
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-[1-[2-(2-methylprop-2-enylideneamino)ethyl]cyclopentyl]ethyl]prop-1-en-1-amine?
The IUPAC name of (E)-N-[2-[1-[2-(2-methylprop-2-enylideneamino)ethyl]cyclopentyl]ethyl]prop-1-en-1-amine (CID 146542561) is (E)-N-[2-[1-[2-(2-methylprop-2-enylideneamino)ethyl]cyclopentyl]ethyl]prop-1-en-1-amine.
What is the SMILES notation for (E)-N-[2-[1-[2-(2-methylprop-2-enylideneamino)ethyl]cyclopentyl]ethyl]prop-1-en-1-amine?
The canonical SMILES for (E)-N-[2-[1-[2-(2-methylprop-2-enylideneamino)ethyl]cyclopentyl]ethyl]prop-1-en-1-amine is C=C(C)/C=N/CCC1(CCN/C=C/C)CCCC1.
What is the InChIKey of (E)-N-[2-[1-[2-(2-methylprop-2-enylideneamino)ethyl]cyclopentyl]ethyl]prop-1-en-1-amine?
The InChIKey is FNWZHPLJJONASK-QQFWEQCRSA-N. The full InChI is InChI=1S/C16H28N2/c1-4-11-17-12-9-16(7-5-6-8-16)10-13-18-14-15(2)3/h4,11,14,17H,2,5-10,12-13H2,1,3H3/b11-4+,18-14+.
What are the key properties of (E)-N-[2-[1-[2-(2-methylprop-2-enylideneamino)ethyl]cyclopentyl]ethyl]prop-1-en-1-amine?
(E)-N-[2-[1-[2-(2-methylprop-2-enylideneamino)ethyl]cyclopentyl]ethyl]prop-1-en-1-amine has a molecular weight of 248.41 g/mol, XLogP of 4.10, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-[1-[2-(2-methylprop-2-enylideneamino)ethyl]cyclopentyl]ethyl]prop-1-en-1-amine is sourced from PubChem (CID 146542561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).