(2E)-4-(3-methylpyrrolidin-1-yl)-N,N-dipropylpenta-2,4-dien-1-amine

C16H30N2 — CID 174363188

IUPAC(2E)-4-(3-methylpyrrolidin-1-yl)-N,N-dipropylpenta-2,4-dien-1-amine
SMILESC=C(/C=C/CN(CCC)CCC)N1CCC(C)C1
InChIInChI=1S/C16H30N2/c1-5-10-17(11-6-2)12-7-8-16(4)18-13-9-15(3)14-18/h7-8,15H,4-6,9-14H2,1-3H3/b8-7+
InChIKeyMNKCTWQTTXGVRI-BQYQJAHWSA-N
MW250.43 g/mol
LogP3.52
Rot. Bonds8

About (2E)-4-(3-methylpyrrolidin-1-yl)-N,N-dipropylpenta-2,4-dien-1-amine

(2E)-4-(3-methylpyrrolidin-1-yl)-N,N-dipropylpenta-2,4-dien-1-amine (PubChem CID 174363188) has the molecular formula C16H30N2 and a molecular weight of 250.43 g/mol. Its IUPAC name is (2E)-4-(3-methylpyrrolidin-1-yl)-N,N-dipropylpenta-2,4-dien-1-amine.

Molecular Properties

Compound Name(2E)-4-(3-methylpyrrolidin-1-yl)-N,N-dipropylpenta-2,4-dien-1-amine
PubChem CID174363188
Molecular FormulaC16H30N2
Molecular Weight250.43 g/mol
Exact Mass250.24
IUPAC Name(2E)-4-(3-methylpyrrolidin-1-yl)-N,N-dipropylpenta-2,4-dien-1-amine
SMILESC=C(/C=C/CN(CCC)CCC)N1CCC(C)C1
InChIInChI=1S/C16H30N2/c1-5-10-17(11-6-2)12-7-8-16(4)18-13-9-15(3)14-18/h7-8,15H,4-6,9-14H2,1-3H3/b8-7+
InChIKeyMNKCTWQTTXGVRI-BQYQJAHWSA-N
XLogP3.52
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.43
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E)-4-(3-methylpyrrolidin-1-yl)-N,N-dipropylpenta-2,4-dien-1-amine?
The IUPAC name of (2E)-4-(3-methylpyrrolidin-1-yl)-N,N-dipropylpenta-2,4-dien-1-amine (CID 174363188) is (2E)-4-(3-methylpyrrolidin-1-yl)-N,N-dipropylpenta-2,4-dien-1-amine.
What is the SMILES notation for (2E)-4-(3-methylpyrrolidin-1-yl)-N,N-dipropylpenta-2,4-dien-1-amine?
The canonical SMILES for (2E)-4-(3-methylpyrrolidin-1-yl)-N,N-dipropylpenta-2,4-dien-1-amine is C=C(/C=C/CN(CCC)CCC)N1CCC(C)C1.
What is the InChIKey of (2E)-4-(3-methylpyrrolidin-1-yl)-N,N-dipropylpenta-2,4-dien-1-amine?
The InChIKey is MNKCTWQTTXGVRI-BQYQJAHWSA-N. The full InChI is InChI=1S/C16H30N2/c1-5-10-17(11-6-2)12-7-8-16(4)18-13-9-15(3)14-18/h7-8,15H,4-6,9-14H2,1-3H3/b8-7+.
What are the key properties of (2E)-4-(3-methylpyrrolidin-1-yl)-N,N-dipropylpenta-2,4-dien-1-amine?
(2E)-4-(3-methylpyrrolidin-1-yl)-N,N-dipropylpenta-2,4-dien-1-amine has a molecular weight of 250.43 g/mol, XLogP of 3.52, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-4-(3-methylpyrrolidin-1-yl)-N,N-dipropylpenta-2,4-dien-1-amine is sourced from PubChem (CID 174363188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).