2-[(1R,3S,4S)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]-N-propan-2-ylprop-2-en-1-amine

C18H31N — CID 44570775

IUPAC2-[(1R,3S,4S)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]-N-propan-2-ylprop-2-en-1-amine
SMILESC=C[C@]1(C)CC[C@@H](C(=C)CNC(C)C)C[C@H]1C(=C)C
InChIInChI=1S/C18H31N/c1-8-18(7)10-9-16(11-17(18)13(2)3)15(6)12-19-14(4)5/h8,14,16-17,19H,1-2,6,9-12H2,3-5,7H3/t16-,17+,18-/m1/s1
InChIKeyYSXIQUUQNXWDPW-FGTMMUONSA-N
MW261.45 g/mol
LogP4.73
Rot. Bonds6

About 2-[(1R,3S,4S)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]-N-propan-2-ylprop-2-en-1-amine

2-[(1R,3S,4S)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]-N-propan-2-ylprop-2-en-1-amine (PubChem CID 44570775) has the molecular formula C18H31N and a molecular weight of 261.45 g/mol. Its IUPAC name is 2-[(1R,3S,4S)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]-N-propan-2-ylprop-2-en-1-amine.

Molecular Properties

Compound Name2-[(1R,3S,4S)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]-N-propan-2-ylprop-2-en-1-amine
PubChem CID44570775
Molecular FormulaC18H31N
Molecular Weight261.45 g/mol
Exact Mass261.25
IUPAC Name2-[(1R,3S,4S)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]-N-propan-2-ylprop-2-en-1-amine
SMILESC=C[C@]1(C)CC[C@@H](C(=C)CNC(C)C)C[C@H]1C(=C)C
InChIInChI=1S/C18H31N/c1-8-18(7)10-9-16(11-17(18)13(2)3)15(6)12-19-14(4)5/h8,14,16-17,19H,1-2,6,9-12H2,3-5,7H3/t16-,17+,18-/m1/s1
InChIKeyYSXIQUUQNXWDPW-FGTMMUONSA-N
XLogP4.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.45
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(1R,3S,4S)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]-N-propan-2-ylprop-2-en-1-amine?
The IUPAC name of 2-[(1R,3S,4S)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]-N-propan-2-ylprop-2-en-1-amine (CID 44570775) is 2-[(1R,3S,4S)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]-N-propan-2-ylprop-2-en-1-amine.
What is the SMILES notation for 2-[(1R,3S,4S)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]-N-propan-2-ylprop-2-en-1-amine?
The canonical SMILES for 2-[(1R,3S,4S)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]-N-propan-2-ylprop-2-en-1-amine is C=C[C@]1(C)CC[C@@H](C(=C)CNC(C)C)C[C@H]1C(=C)C.
What is the InChIKey of 2-[(1R,3S,4S)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]-N-propan-2-ylprop-2-en-1-amine?
The InChIKey is YSXIQUUQNXWDPW-FGTMMUONSA-N. The full InChI is InChI=1S/C18H31N/c1-8-18(7)10-9-16(11-17(18)13(2)3)15(6)12-19-14(4)5/h8,14,16-17,19H,1-2,6,9-12H2,3-5,7H3/t16-,17+,18-/m1/s1.
What are the key properties of 2-[(1R,3S,4S)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]-N-propan-2-ylprop-2-en-1-amine?
2-[(1R,3S,4S)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]-N-propan-2-ylprop-2-en-1-amine has a molecular weight of 261.45 g/mol, XLogP of 4.73, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,3S,4S)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]-N-propan-2-ylprop-2-en-1-amine is sourced from PubChem (CID 44570775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).