N-methyl-1-[1-[(4Z)-2-methylhepta-2,4-dien-3-yl]cyclopentyl]ethenamine

C16H27N — CID 134397494

IUPACN-methyl-1-[1-[(4Z)-2-methylhepta-2,4-dien-3-yl]cyclopentyl]ethenamine
SMILESC=C(NC)C1(C(/C=C\CC)=C(C)C)CCCC1
InChIInChI=1S/C16H27N/c1-6-7-10-15(13(2)3)16(14(4)17-5)11-8-9-12-16/h7,10,17H,4,6,8-9,11-12H2,1-3,5H3/b10-7-
InChIKeyHUTFNUOKRKYCKN-YFHOEESVSA-N
MW233.40 g/mol
LogP4.58
Rot. Bonds5

About N-methyl-1-[1-[(4Z)-2-methylhepta-2,4-dien-3-yl]cyclopentyl]ethenamine

N-methyl-1-[1-[(4Z)-2-methylhepta-2,4-dien-3-yl]cyclopentyl]ethenamine (PubChem CID 134397494) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is N-methyl-1-[1-[(4Z)-2-methylhepta-2,4-dien-3-yl]cyclopentyl]ethenamine.

Molecular Properties

Compound NameN-methyl-1-[1-[(4Z)-2-methylhepta-2,4-dien-3-yl]cyclopentyl]ethenamine
PubChem CID134397494
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC NameN-methyl-1-[1-[(4Z)-2-methylhepta-2,4-dien-3-yl]cyclopentyl]ethenamine
SMILESC=C(NC)C1(C(/C=C\CC)=C(C)C)CCCC1
InChIInChI=1S/C16H27N/c1-6-7-10-15(13(2)3)16(14(4)17-5)11-8-9-12-16/h7,10,17H,4,6,8-9,11-12H2,1-3,5H3/b10-7-
InChIKeyHUTFNUOKRKYCKN-YFHOEESVSA-N
XLogP4.58
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-[(4Z)-2-methylhepta-2,4-dien-3-yl]cyclopentyl]ethenamine?
The IUPAC name of N-methyl-1-[1-[(4Z)-2-methylhepta-2,4-dien-3-yl]cyclopentyl]ethenamine (CID 134397494) is N-methyl-1-[1-[(4Z)-2-methylhepta-2,4-dien-3-yl]cyclopentyl]ethenamine.
What is the SMILES notation for N-methyl-1-[1-[(4Z)-2-methylhepta-2,4-dien-3-yl]cyclopentyl]ethenamine?
The canonical SMILES for N-methyl-1-[1-[(4Z)-2-methylhepta-2,4-dien-3-yl]cyclopentyl]ethenamine is C=C(NC)C1(C(/C=C\CC)=C(C)C)CCCC1.
What is the InChIKey of N-methyl-1-[1-[(4Z)-2-methylhepta-2,4-dien-3-yl]cyclopentyl]ethenamine?
The InChIKey is HUTFNUOKRKYCKN-YFHOEESVSA-N. The full InChI is InChI=1S/C16H27N/c1-6-7-10-15(13(2)3)16(14(4)17-5)11-8-9-12-16/h7,10,17H,4,6,8-9,11-12H2,1-3,5H3/b10-7-.
What are the key properties of N-methyl-1-[1-[(4Z)-2-methylhepta-2,4-dien-3-yl]cyclopentyl]ethenamine?
N-methyl-1-[1-[(4Z)-2-methylhepta-2,4-dien-3-yl]cyclopentyl]ethenamine has a molecular weight of 233.40 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-[(4Z)-2-methylhepta-2,4-dien-3-yl]cyclopentyl]ethenamine is sourced from PubChem (CID 134397494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).