3,3,5-trimethyl-5-[(pent-1-en-2-ylamino)methyl]-N-propan-2-ylcyclohexan-1-amine

C18H36N2 — CID 126746352

IUPAC3,3,5-trimethyl-5-[(pent-1-en-2-ylamino)methyl]-N-propan-2-ylcyclohexan-1-amine
SMILESC=C(CCC)NCC1(C)CC(NC(C)C)CC(C)(C)C1
InChIInChI=1S/C18H36N2/c1-8-9-15(4)19-13-18(7)11-16(20-14(2)3)10-17(5,6)12-18/h14,16,19-20H,4,8-13H2,1-3,5-7H3
InChIKeyAQCWMQLKODNCPZ-UHFFFAOYSA-N
MW280.50 g/mol
LogP4.47
Rot. Bonds7

About 3,3,5-trimethyl-5-[(pent-1-en-2-ylamino)methyl]-N-propan-2-ylcyclohexan-1-amine

3,3,5-trimethyl-5-[(pent-1-en-2-ylamino)methyl]-N-propan-2-ylcyclohexan-1-amine (PubChem CID 126746352) has the molecular formula C18H36N2 and a molecular weight of 280.50 g/mol. Its IUPAC name is 3,3,5-trimethyl-5-[(pent-1-en-2-ylamino)methyl]-N-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Name3,3,5-trimethyl-5-[(pent-1-en-2-ylamino)methyl]-N-propan-2-ylcyclohexan-1-amine
PubChem CID126746352
Molecular FormulaC18H36N2
Molecular Weight280.50 g/mol
Exact Mass280.29
IUPAC Name3,3,5-trimethyl-5-[(pent-1-en-2-ylamino)methyl]-N-propan-2-ylcyclohexan-1-amine
SMILESC=C(CCC)NCC1(C)CC(NC(C)C)CC(C)(C)C1
InChIInChI=1S/C18H36N2/c1-8-9-15(4)19-13-18(7)11-16(20-14(2)3)10-17(5,6)12-18/h14,16,19-20H,4,8-13H2,1-3,5-7H3
InChIKeyAQCWMQLKODNCPZ-UHFFFAOYSA-N
XLogP4.47
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.50
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3,5-trimethyl-5-[(pent-1-en-2-ylamino)methyl]-N-propan-2-ylcyclohexan-1-amine?
The IUPAC name of 3,3,5-trimethyl-5-[(pent-1-en-2-ylamino)methyl]-N-propan-2-ylcyclohexan-1-amine (CID 126746352) is 3,3,5-trimethyl-5-[(pent-1-en-2-ylamino)methyl]-N-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for 3,3,5-trimethyl-5-[(pent-1-en-2-ylamino)methyl]-N-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for 3,3,5-trimethyl-5-[(pent-1-en-2-ylamino)methyl]-N-propan-2-ylcyclohexan-1-amine is C=C(CCC)NCC1(C)CC(NC(C)C)CC(C)(C)C1.
What is the InChIKey of 3,3,5-trimethyl-5-[(pent-1-en-2-ylamino)methyl]-N-propan-2-ylcyclohexan-1-amine?
The InChIKey is AQCWMQLKODNCPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2/c1-8-9-15(4)19-13-18(7)11-16(20-14(2)3)10-17(5,6)12-18/h14,16,19-20H,4,8-13H2,1-3,5-7H3.
What are the key properties of 3,3,5-trimethyl-5-[(pent-1-en-2-ylamino)methyl]-N-propan-2-ylcyclohexan-1-amine?
3,3,5-trimethyl-5-[(pent-1-en-2-ylamino)methyl]-N-propan-2-ylcyclohexan-1-amine has a molecular weight of 280.50 g/mol, XLogP of 4.47, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,5-trimethyl-5-[(pent-1-en-2-ylamino)methyl]-N-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 126746352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).