(1Z,3Z)-N-[(1-methylcyclopentyl)methyl]hexa-1,3,5-trien-1-amine

C13H21N — CID 162727015

IUPAC(1Z,3Z)-N-[(1-methylcyclopentyl)methyl]hexa-1,3,5-trien-1-amine
SMILESC=C/C=C\C=C/NCC1(C)CCCC1
InChIInChI=1S/C13H21N/c1-3-4-5-8-11-14-12-13(2)9-6-7-10-13/h3-5,8,11,14H,1,6-7,9-10,12H2,2H3/b5-4-,11-8-
InChIKeyOVBKHQSSOOSDAB-YMVJEYMASA-N
MW191.32 g/mol
LogP3.41
Rot. Bonds5

About (1Z,3Z)-N-[(1-methylcyclopentyl)methyl]hexa-1,3,5-trien-1-amine

(1Z,3Z)-N-[(1-methylcyclopentyl)methyl]hexa-1,3,5-trien-1-amine (PubChem CID 162727015) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is (1Z,3Z)-N-[(1-methylcyclopentyl)methyl]hexa-1,3,5-trien-1-amine.

Molecular Properties

Compound Name(1Z,3Z)-N-[(1-methylcyclopentyl)methyl]hexa-1,3,5-trien-1-amine
PubChem CID162727015
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC Name(1Z,3Z)-N-[(1-methylcyclopentyl)methyl]hexa-1,3,5-trien-1-amine
SMILESC=C/C=C\C=C/NCC1(C)CCCC1
InChIInChI=1S/C13H21N/c1-3-4-5-8-11-14-12-13(2)9-6-7-10-13/h3-5,8,11,14H,1,6-7,9-10,12H2,2H3/b5-4-,11-8-
InChIKeyOVBKHQSSOOSDAB-YMVJEYMASA-N
XLogP3.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-iodo-1-(1-methylcyclopentyl)methanamine
CID 156748998
(2Z,4Z)-N-[(1E,3Z)-hexa-1,3,5-trienyl]hexa-2,4-dien-1-amine
CID 146687840
(1-methylcyclotridecyl)methylhydrazine
CID 154988457
1,1-dimethyl-2-[(1-methylcyclobutyl)methyl]hydrazine
CID 126985336
2-chloro-N-[(1-methylcyclobutyl)methyl]ethanamine
CID 130601571
2-methyl-1-[(1-methylcyclopentyl)methyl]-3-prop-2-enylguanidine;hydroiodide
CID 111759252
(3E,5E,7E,9E,11E,13E,15E)-octadeca-1,3,5,7,9,11,13,15,17-nonaene
CID 15379303
2-methyl-2-[[(1-methylcyclohexyl)methylamino]methyl]cyclopentan-1-amine
CID 114095002
N-[(1-methylcycloheptyl)methyl]acetamide
CID 127751208
1-[[(1-methylcyclopentyl)methylamino]methyl]cyclopentan-1-ol
CID 65211055
(1-methylcyclooctyl)methanamine
CID 80603984
2-[(1-methylcyclohexyl)methylamino]ethanol
CID 106827219

Frequently Asked Questions

What is the IUPAC name of (1Z,3Z)-N-[(1-methylcyclopentyl)methyl]hexa-1,3,5-trien-1-amine?
The IUPAC name of (1Z,3Z)-N-[(1-methylcyclopentyl)methyl]hexa-1,3,5-trien-1-amine (CID 162727015) is (1Z,3Z)-N-[(1-methylcyclopentyl)methyl]hexa-1,3,5-trien-1-amine.
What is the SMILES notation for (1Z,3Z)-N-[(1-methylcyclopentyl)methyl]hexa-1,3,5-trien-1-amine?
The canonical SMILES for (1Z,3Z)-N-[(1-methylcyclopentyl)methyl]hexa-1,3,5-trien-1-amine is C=C/C=C\C=C/NCC1(C)CCCC1.
What is the InChIKey of (1Z,3Z)-N-[(1-methylcyclopentyl)methyl]hexa-1,3,5-trien-1-amine?
The InChIKey is OVBKHQSSOOSDAB-YMVJEYMASA-N. The full InChI is InChI=1S/C13H21N/c1-3-4-5-8-11-14-12-13(2)9-6-7-10-13/h3-5,8,11,14H,1,6-7,9-10,12H2,2H3/b5-4-,11-8-.
What are the key properties of (1Z,3Z)-N-[(1-methylcyclopentyl)methyl]hexa-1,3,5-trien-1-amine?
(1Z,3Z)-N-[(1-methylcyclopentyl)methyl]hexa-1,3,5-trien-1-amine has a molecular weight of 191.32 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3Z)-N-[(1-methylcyclopentyl)methyl]hexa-1,3,5-trien-1-amine is sourced from PubChem (CID 162727015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).