N,8-dimethyl-3-(3-methylhexan-3-yl)-2-prop-1-en-2-ylcycloocta-2,5-dien-1-amine

C20H35N — CID 123140263

IUPACN,8-dimethyl-3-(3-methylhexan-3-yl)-2-prop-1-en-2-ylcycloocta-2,5-dien-1-amine
SMILESC=C(C)C1=C(C(C)(CC)CCC)CC=CCC(C)C1NC
InChIInChI=1S/C20H35N/c1-8-14-20(6,9-2)17-13-11-10-12-16(5)19(21-7)18(17)15(3)4/h10-11,16,19,21H,3,8-9,12-14H2,1-2,4-7H3
InChIKeyOYHOTNHPNQSYTI-UHFFFAOYSA-N
MW289.51 g/mol
LogP5.65
Rot. Bonds6

About N,8-dimethyl-3-(3-methylhexan-3-yl)-2-prop-1-en-2-ylcycloocta-2,5-dien-1-amine

N,8-dimethyl-3-(3-methylhexan-3-yl)-2-prop-1-en-2-ylcycloocta-2,5-dien-1-amine (PubChem CID 123140263) has the molecular formula C20H35N and a molecular weight of 289.51 g/mol. Its IUPAC name is N,8-dimethyl-3-(3-methylhexan-3-yl)-2-prop-1-en-2-ylcycloocta-2,5-dien-1-amine.

Molecular Properties

Compound NameN,8-dimethyl-3-(3-methylhexan-3-yl)-2-prop-1-en-2-ylcycloocta-2,5-dien-1-amine
PubChem CID123140263
Molecular FormulaC20H35N
Molecular Weight289.51 g/mol
Exact Mass289.28
IUPAC NameN,8-dimethyl-3-(3-methylhexan-3-yl)-2-prop-1-en-2-ylcycloocta-2,5-dien-1-amine
SMILESC=C(C)C1=C(C(C)(CC)CCC)CC=CCC(C)C1NC
InChIInChI=1S/C20H35N/c1-8-14-20(6,9-2)17-13-11-10-12-16(5)19(21-7)18(17)15(3)4/h10-11,16,19,21H,3,8-9,12-14H2,1-2,4-7H3
InChIKeyOYHOTNHPNQSYTI-UHFFFAOYSA-N
XLogP5.65
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.51
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N,8-dimethyl-3-(3-methylhexan-3-yl)-2-prop-1-en-2-ylcycloocta-2,5-dien-1-amine with MolForge

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Launch Full Analysis

Related Compounds

N-[(2-ethenyl-4-ethyl-5-fluoro-4-pentylcyclohept-2-en-1-yl)methyl]-2,3,8-trimethyl-7-propylcyclooct-2-en-1-amine
CID 123673126
(7E)-6-ethyl-8-[(1E,4E)-3-ethyl-5-methylocta-1,4-dienyl]-7-(1-fluoroethenyl)-1,2,3,4,5,6-hexahydroazocine
CID 139423605
4-fluoro-3-methyl-N-(3,3,8-trimethyldecan-2-yl)cyclohepta-2,4,6-trien-1-amine
CID 144167138
(E)-6-ethyl-2-fluoro-5-N-methyl-4-methylidene-6-propylnon-2-ene-1,5-diamine
CID 156085764
(7E,11Z)-8-fluoro-N,5,14,17-tetramethyl-6,9,10,13-tetramethylidenenonadeca-7,11-dien-2-amine
CID 142281429
4-[(1E)-cycloocten-1-yl]-4-methyl-N-propan-2-ylpentan-1-amine
CID 10922993
(2E,4E,6E,8E)-3,7-dimethyl-N-propyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-amine
CID 24816046
2-methyl-6-(4-methylcyclohexa-1,5-dien-1-yl)-N-(2-methylpropyl)hept-2-en-4-amine
CID 50940470
(6S)-2-methyl-6-(4-methylcyclohexa-1,5-dien-1-yl)-N-(2-methylpropyl)hept-2-en-4-amine
CID 50940473
(2E,4Z,6E,8E)-3,7-dimethyl-N-propyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-amine
CID 58372010
N-methyl-1-(4-propylcyclohexa-1,5-dien-1-yl)ethanamine
CID 66792534
(6R)-2-methyl-6-(4-methylcyclohexa-1,5-dien-1-yl)-N-(2-methylpropyl)hept-2-en-4-amine
CID 69669097

Frequently Asked Questions

What is the IUPAC name of N,8-dimethyl-3-(3-methylhexan-3-yl)-2-prop-1-en-2-ylcycloocta-2,5-dien-1-amine?
The IUPAC name of N,8-dimethyl-3-(3-methylhexan-3-yl)-2-prop-1-en-2-ylcycloocta-2,5-dien-1-amine (CID 123140263) is N,8-dimethyl-3-(3-methylhexan-3-yl)-2-prop-1-en-2-ylcycloocta-2,5-dien-1-amine.
What is the SMILES notation for N,8-dimethyl-3-(3-methylhexan-3-yl)-2-prop-1-en-2-ylcycloocta-2,5-dien-1-amine?
The canonical SMILES for N,8-dimethyl-3-(3-methylhexan-3-yl)-2-prop-1-en-2-ylcycloocta-2,5-dien-1-amine is C=C(C)C1=C(C(C)(CC)CCC)CC=CCC(C)C1NC.
What is the InChIKey of N,8-dimethyl-3-(3-methylhexan-3-yl)-2-prop-1-en-2-ylcycloocta-2,5-dien-1-amine?
The InChIKey is OYHOTNHPNQSYTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N/c1-8-14-20(6,9-2)17-13-11-10-12-16(5)19(21-7)18(17)15(3)4/h10-11,16,19,21H,3,8-9,12-14H2,1-2,4-7H3.
What are the key properties of N,8-dimethyl-3-(3-methylhexan-3-yl)-2-prop-1-en-2-ylcycloocta-2,5-dien-1-amine?
N,8-dimethyl-3-(3-methylhexan-3-yl)-2-prop-1-en-2-ylcycloocta-2,5-dien-1-amine has a molecular weight of 289.51 g/mol, XLogP of 5.65, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,8-dimethyl-3-(3-methylhexan-3-yl)-2-prop-1-en-2-ylcycloocta-2,5-dien-1-amine is sourced from PubChem (CID 123140263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).