N-[(6E,8Z)-6-methyl-5-prop-1-en-2-ylundeca-1,6,8,10-tetraen-2-yl]cyclopropanamine

C18H27N — CID 142909808

IUPACN-[(6E,8Z)-6-methyl-5-prop-1-en-2-ylundeca-1,6,8,10-tetraen-2-yl]cyclopropanamine
SMILESC=C/C=C\C=C(/C)C(CCC(=C)NC1CC1)C(=C)C
InChIInChI=1S/C18H27N/c1-6-7-8-9-15(4)18(14(2)3)13-10-16(5)19-17-11-12-17/h6-9,17-19H,1-2,5,10-13H2,3-4H3/b8-7-,15-9+
InChIKeyRMKPVKYYCXFENO-USTJKHOZSA-N
MW257.42 g/mol
LogP4.91
Rot. Bonds9

About N-[(6E,8Z)-6-methyl-5-prop-1-en-2-ylundeca-1,6,8,10-tetraen-2-yl]cyclopropanamine

N-[(6E,8Z)-6-methyl-5-prop-1-en-2-ylundeca-1,6,8,10-tetraen-2-yl]cyclopropanamine (PubChem CID 142909808) has the molecular formula C18H27N and a molecular weight of 257.42 g/mol. Its IUPAC name is N-[(6E,8Z)-6-methyl-5-prop-1-en-2-ylundeca-1,6,8,10-tetraen-2-yl]cyclopropanamine.

Molecular Properties

Compound NameN-[(6E,8Z)-6-methyl-5-prop-1-en-2-ylundeca-1,6,8,10-tetraen-2-yl]cyclopropanamine
PubChem CID142909808
Molecular FormulaC18H27N
Molecular Weight257.42 g/mol
Exact Mass257.21
IUPAC NameN-[(6E,8Z)-6-methyl-5-prop-1-en-2-ylundeca-1,6,8,10-tetraen-2-yl]cyclopropanamine
SMILESC=C/C=C\C=C(/C)C(CCC(=C)NC1CC1)C(=C)C
InChIInChI=1S/C18H27N/c1-6-7-8-9-15(4)18(14(2)3)13-10-16(5)19-17-11-12-17/h6-9,17-19H,1-2,5,10-13H2,3-4H3/b8-7-,15-9+
InChIKeyRMKPVKYYCXFENO-USTJKHOZSA-N
XLogP4.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[(6E,8Z)-6-methyl-5-prop-1-en-2-ylundeca-1,6,8,10-tetraen-2-yl]cyclopropanamine with MolForge

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Related Compounds

(4R,6Z,8E)-6-ethyl-8-fluoro-4-methyl-N-[(4Z,6Z)-6-methyl-3-methylideneocta-4,6-dien-2-yl]undeca-1,6,8,10-tetraen-2-amine
CID 88997990
(4Z,6Z)-6-(2-cyclopropylethyl)-N-[1-[2-[(5E)-3,5-difluoroocta-1,5-dien-2-yl]cyclopropyl]ethenyl]-3-methylideneocta-4,6-dien-2-amine
CID 88998052
(3E,5Z)-6-N-(1-cyclopropylpropyl)-5-fluoro-3-prop-1-en-2-ylhepta-1,3,5-triene-2,6-diamine
CID 134187781
3-fluoro-4-N,3-bis(2-methylpropyl)cyclohexa-1,5-diene-1,4-diamine
CID 152025024
4-[(2S)-3-butyl-2-methyl-1,2-dihydropyridin-6-yl]-N-[2-[2-(2-fluoropent-4-enyl)cyclopropyl]ethyl]butan-1-amine
CID 155204879
(5S)-6-fluoro-5-methyl-N-propan-2-yl-4-prop-1-en-2-ylcyclohexa-1,3-dien-1-amine
CID 164155149
N-[1-[5-(2,2-difluoroethyl)cyclohexa-2,4-dien-1-yl]ethenyl]-2-methylhex-1-en-3-amine
CID 166734820
N-[1-[5-[(1E)-2-fluorobuta-1,3-dienyl]-1,2,6-trimethyl-3,4-dihydro-2H-pyridin-3-yl]ethenyl]-2-methylpentan-3-amine
CID 166894940
N-cyclopropyl-2-ethyl-3-fluoro-4-methylcyclohexa-1,5-dien-1-amine
CID 167154348
1-[4-[3-ethenyl-4-ethyl-2-[(E)-2-fluoroethenyl]-2,3-dihydro-1H-pyrrol-5-yl]cyclohexa-2,4-dien-1-yl]-N-methylmethanamine
CID 174319044
(3Z)-N-propan-2-yl-3-prop-2-enylidenecyclohexen-1-amine
CID 134948808
2-methyl-6-(4-methylcyclohexa-1,5-dien-1-yl)-N-(2-methylpropyl)hept-2-en-4-amine
CID 50940470

Frequently Asked Questions

What is the IUPAC name of N-[(6E,8Z)-6-methyl-5-prop-1-en-2-ylundeca-1,6,8,10-tetraen-2-yl]cyclopropanamine?
The IUPAC name of N-[(6E,8Z)-6-methyl-5-prop-1-en-2-ylundeca-1,6,8,10-tetraen-2-yl]cyclopropanamine (CID 142909808) is N-[(6E,8Z)-6-methyl-5-prop-1-en-2-ylundeca-1,6,8,10-tetraen-2-yl]cyclopropanamine.
What is the SMILES notation for N-[(6E,8Z)-6-methyl-5-prop-1-en-2-ylundeca-1,6,8,10-tetraen-2-yl]cyclopropanamine?
The canonical SMILES for N-[(6E,8Z)-6-methyl-5-prop-1-en-2-ylundeca-1,6,8,10-tetraen-2-yl]cyclopropanamine is C=C/C=C\C=C(/C)C(CCC(=C)NC1CC1)C(=C)C.
What is the InChIKey of N-[(6E,8Z)-6-methyl-5-prop-1-en-2-ylundeca-1,6,8,10-tetraen-2-yl]cyclopropanamine?
The InChIKey is RMKPVKYYCXFENO-USTJKHOZSA-N. The full InChI is InChI=1S/C18H27N/c1-6-7-8-9-15(4)18(14(2)3)13-10-16(5)19-17-11-12-17/h6-9,17-19H,1-2,5,10-13H2,3-4H3/b8-7-,15-9+.
What are the key properties of N-[(6E,8Z)-6-methyl-5-prop-1-en-2-ylundeca-1,6,8,10-tetraen-2-yl]cyclopropanamine?
N-[(6E,8Z)-6-methyl-5-prop-1-en-2-ylundeca-1,6,8,10-tetraen-2-yl]cyclopropanamine has a molecular weight of 257.42 g/mol, XLogP of 4.91, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6E,8Z)-6-methyl-5-prop-1-en-2-ylundeca-1,6,8,10-tetraen-2-yl]cyclopropanamine is sourced from PubChem (CID 142909808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).