2-ethenyl-5-methyl-N,N-bis(5-methyl-2-propan-2-ylcyclohexyl)-2-propan-2-ylcyclohexan-1-amine

C32H59N — CID 66873940

IUPAC2-ethenyl-5-methyl-N,N-bis(5-methyl-2-propan-2-ylcyclohexyl)-2-propan-2-ylcyclohexan-1-amine
SMILESC=CC1(C(C)C)CCC(C)CC1N(C1CC(C)CCC1C(C)C)C1CC(C)CCC1C(C)C
InChIInChI=1S/C32H59N/c1-11-32(23(6)7)17-16-26(10)20-31(32)33(29-18-24(8)12-14-27(29)21(2)3)30-19-25(9)13-15-28(30)22(4)5/h11,21-31H,1,12-20H2,2-10H3
InChIKeyRULPLYHTPCPJFD-UHFFFAOYSA-N
MW457.83 g/mol
LogP9.23
Rot. Bonds7

About 2-ethenyl-5-methyl-N,N-bis(5-methyl-2-propan-2-ylcyclohexyl)-2-propan-2-ylcyclohexan-1-amine

2-ethenyl-5-methyl-N,N-bis(5-methyl-2-propan-2-ylcyclohexyl)-2-propan-2-ylcyclohexan-1-amine (PubChem CID 66873940) has the molecular formula C32H59N and a molecular weight of 457.83 g/mol. Its IUPAC name is 2-ethenyl-5-methyl-N,N-bis(5-methyl-2-propan-2-ylcyclohexyl)-2-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Name2-ethenyl-5-methyl-N,N-bis(5-methyl-2-propan-2-ylcyclohexyl)-2-propan-2-ylcyclohexan-1-amine
PubChem CID66873940
Molecular FormulaC32H59N
Molecular Weight457.83 g/mol
Exact Mass457.46
IUPAC Name2-ethenyl-5-methyl-N,N-bis(5-methyl-2-propan-2-ylcyclohexyl)-2-propan-2-ylcyclohexan-1-amine
SMILESC=CC1(C(C)C)CCC(C)CC1N(C1CC(C)CCC1C(C)C)C1CC(C)CCC1C(C)C
InChIInChI=1S/C32H59N/c1-11-32(23(6)7)17-16-26(10)20-31(32)33(29-18-24(8)12-14-27(29)21(2)3)30-19-25(9)13-15-28(30)22(4)5/h11,21-31H,1,12-20H2,2-10H3
InChIKeyRULPLYHTPCPJFD-UHFFFAOYSA-N
XLogP9.23
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.83
LogP ≤ 59.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-ethenyl-5-methyl-N,N-bis(5-methyl-2-propan-2-ylcyclohexyl)-2-propan-2-ylcyclohexan-1-amine with MolForge

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Related Compounds

(1S,4S,4aR,6S,8aR)-8a-ethenyl-1,6-dimethyl-4-propan-2-yl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene
CID 143887968
N-ethyl-N-(5-methyl-2-propan-2-ylcyclohexyl)formamide
CID 25195885
2-[(5-methyl-2-propan-2-ylcyclohexyl)-prop-2-enylamino]acetic acid
CID 79285316
(2S)-4-methyl-1,2-di(propan-2-yl)cyclohexane
CID 169042978
N-methyl-N-(5-methyl-2-propan-2-ylcyclohexyl)azetidin-3-amine
CID 66187048
N-ethyl-N-(5-methyl-2-propan-2-ylcyclohexyl)acetamide
CID 16734901
4-N-methyl-4-N-(5-methyl-2-propan-2-ylcyclohexyl)cyclohexane-1,4-diamine
CID 79121112
hexakis[(-)-menthyl]distannane
CID 86177037
N-(4-methoxyphenyl)-N-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]formamide
CID 168868561
(1S,2S,4S)-2-ethyl-4-methyl-1-propan-2-ylcyclohexane
CID 166124501
N-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]formamide
CID 59847881
N,N-bis(5-methyl-2-propan-2-ylcyclohexyl)pyridin-4-amine
CID 22480097

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-5-methyl-N,N-bis(5-methyl-2-propan-2-ylcyclohexyl)-2-propan-2-ylcyclohexan-1-amine?
The IUPAC name of 2-ethenyl-5-methyl-N,N-bis(5-methyl-2-propan-2-ylcyclohexyl)-2-propan-2-ylcyclohexan-1-amine (CID 66873940) is 2-ethenyl-5-methyl-N,N-bis(5-methyl-2-propan-2-ylcyclohexyl)-2-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for 2-ethenyl-5-methyl-N,N-bis(5-methyl-2-propan-2-ylcyclohexyl)-2-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for 2-ethenyl-5-methyl-N,N-bis(5-methyl-2-propan-2-ylcyclohexyl)-2-propan-2-ylcyclohexan-1-amine is C=CC1(C(C)C)CCC(C)CC1N(C1CC(C)CCC1C(C)C)C1CC(C)CCC1C(C)C.
What is the InChIKey of 2-ethenyl-5-methyl-N,N-bis(5-methyl-2-propan-2-ylcyclohexyl)-2-propan-2-ylcyclohexan-1-amine?
The InChIKey is RULPLYHTPCPJFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H59N/c1-11-32(23(6)7)17-16-26(10)20-31(32)33(29-18-24(8)12-14-27(29)21(2)3)30-19-25(9)13-15-28(30)22(4)5/h11,21-31H,1,12-20H2,2-10H3.
What are the key properties of 2-ethenyl-5-methyl-N,N-bis(5-methyl-2-propan-2-ylcyclohexyl)-2-propan-2-ylcyclohexan-1-amine?
2-ethenyl-5-methyl-N,N-bis(5-methyl-2-propan-2-ylcyclohexyl)-2-propan-2-ylcyclohexan-1-amine has a molecular weight of 457.83 g/mol, XLogP of 9.23, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-5-methyl-N,N-bis(5-methyl-2-propan-2-ylcyclohexyl)-2-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 66873940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).