(4Z)-2-methyl-3-methylidene-N-(pyrrolidin-2-ylmethyl)hepta-4,6-dien-1-amine

C14H24N2 — CID 134423499

IUPAC(4Z)-2-methyl-3-methylidene-N-(pyrrolidin-2-ylmethyl)hepta-4,6-dien-1-amine
SMILESC=C/C=C\C(=C)C(C)CNCC1CCCN1
InChIInChI=1S/C14H24N2/c1-4-5-7-12(2)13(3)10-15-11-14-8-6-9-16-14/h4-5,7,13-16H,1-2,6,8-11H2,3H3/b7-5-
InChIKeyHZHCFCIRWGRUSM-ALCCZGGFSA-N
MW220.36 g/mol
LogP2.26
Rot. Bonds7

About (4Z)-2-methyl-3-methylidene-N-(pyrrolidin-2-ylmethyl)hepta-4,6-dien-1-amine

(4Z)-2-methyl-3-methylidene-N-(pyrrolidin-2-ylmethyl)hepta-4,6-dien-1-amine (PubChem CID 134423499) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is (4Z)-2-methyl-3-methylidene-N-(pyrrolidin-2-ylmethyl)hepta-4,6-dien-1-amine.

Molecular Properties

Compound Name(4Z)-2-methyl-3-methylidene-N-(pyrrolidin-2-ylmethyl)hepta-4,6-dien-1-amine
PubChem CID134423499
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name(4Z)-2-methyl-3-methylidene-N-(pyrrolidin-2-ylmethyl)hepta-4,6-dien-1-amine
SMILESC=C/C=C\C(=C)C(C)CNCC1CCCN1
InChIInChI=1S/C14H24N2/c1-4-5-7-12(2)13(3)10-15-11-14-8-6-9-16-14/h4-5,7,13-16H,1-2,6,8-11H2,3H3/b7-5-
InChIKeyHZHCFCIRWGRUSM-ALCCZGGFSA-N
XLogP2.26
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 52.26
H-Bond Donors ≤ 52
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 (4Z)-2-methyl-3-methylidene-N-(pyrrolidin-2-ylmethyl)hepta-4,6-dien-1-amine?
The IUPAC name of (4Z)-2-methyl-3-methylidene-N-(pyrrolidin-2-ylmethyl)hepta-4,6-dien-1-amine (CID 134423499) is (4Z)-2-methyl-3-methylidene-N-(pyrrolidin-2-ylmethyl)hepta-4,6-dien-1-amine.
What is the SMILES notation for (4Z)-2-methyl-3-methylidene-N-(pyrrolidin-2-ylmethyl)hepta-4,6-dien-1-amine?
The canonical SMILES for (4Z)-2-methyl-3-methylidene-N-(pyrrolidin-2-ylmethyl)hepta-4,6-dien-1-amine is C=C/C=C\C(=C)C(C)CNCC1CCCN1.
What is the InChIKey of (4Z)-2-methyl-3-methylidene-N-(pyrrolidin-2-ylmethyl)hepta-4,6-dien-1-amine?
The InChIKey is HZHCFCIRWGRUSM-ALCCZGGFSA-N. The full InChI is InChI=1S/C14H24N2/c1-4-5-7-12(2)13(3)10-15-11-14-8-6-9-16-14/h4-5,7,13-16H,1-2,6,8-11H2,3H3/b7-5-.
What are the key properties of (4Z)-2-methyl-3-methylidene-N-(pyrrolidin-2-ylmethyl)hepta-4,6-dien-1-amine?
(4Z)-2-methyl-3-methylidene-N-(pyrrolidin-2-ylmethyl)hepta-4,6-dien-1-amine has a molecular weight of 220.36 g/mol, XLogP of 2.26, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-2-methyl-3-methylidene-N-(pyrrolidin-2-ylmethyl)hepta-4,6-dien-1-amine is sourced from PubChem (CID 134423499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).