1-[1-[(4-tert-butylcyclohexyl)methyl]piperidin-4-yl]ethanamine

C18H36N2 — CID 104575640

IUPAC1-[1-[(4-tert-butylcyclohexyl)methyl]piperidin-4-yl]ethanamine
SMILESCC(N)C1CCN(CC2CCC(C(C)(C)C)CC2)CC1
InChIInChI=1S/C18H36N2/c1-14(19)16-9-11-20(12-10-16)13-15-5-7-17(8-6-15)18(2,3)4/h14-17H,5-13,19H2,1-4H3
InChIKeyJYANJKNEWVOHJW-UHFFFAOYSA-N
MW280.50 g/mol
LogP3.90
Rot. Bonds3

About 1-[1-[(4-tert-butylcyclohexyl)methyl]piperidin-4-yl]ethanamine

1-[1-[(4-tert-butylcyclohexyl)methyl]piperidin-4-yl]ethanamine (PubChem CID 104575640) has the molecular formula C18H36N2 and a molecular weight of 280.50 g/mol. Its IUPAC name is 1-[1-[(4-tert-butylcyclohexyl)methyl]piperidin-4-yl]ethanamine.

Molecular Properties

Compound Name1-[1-[(4-tert-butylcyclohexyl)methyl]piperidin-4-yl]ethanamine
PubChem CID104575640
Molecular FormulaC18H36N2
Molecular Weight280.50 g/mol
Exact Mass280.29
IUPAC Name1-[1-[(4-tert-butylcyclohexyl)methyl]piperidin-4-yl]ethanamine
SMILESCC(N)C1CCN(CC2CCC(C(C)(C)C)CC2)CC1
InChIInChI=1S/C18H36N2/c1-14(19)16-9-11-20(12-10-16)13-15-5-7-17(8-6-15)18(2,3)4/h14-17H,5-13,19H2,1-4H3
InChIKeyJYANJKNEWVOHJW-UHFFFAOYSA-N
XLogP3.90
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.50
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-tert-butyl-1-[[1-(propan-2-ylsulfanylmethyl)piperidin-4-yl]methyl]piperidine
CID 156551459
4-tert-butyl-1-(oxan-4-ylmethyl)piperidine
CID 59743823
1-[(4-tert-butylcyclohexyl)methyl]azetidin-3-amine
CID 104575657
1-(cyclopentylmethyl)-4-propan-2-ylpiperidine
CID 142532061
1-(cyclobutylmethyl)-4-propan-2-ylpiperidine;ethane
CID 170608342
4-(1-chloroethyl)-1-(cyclopropylmethyl)piperidine
CID 106837974
4-tert-butyl-1-[[1-(2,2-dimethylpropyl)piperidin-4-yl]methyl]piperidine
CID 160513190
(3R)-3-[(4-tert-butylpiperidin-1-yl)methyl]-1-propan-2-ylpiperidine
CID 156551481
1-(4-tert-butylcyclohexyl)-3-methylbutan-2-amine
CID 104575536
2-[[1-[(4-tert-butylcyclohexyl)methyl]piperidin-4-yl]-ethylamino]acetic acid
CID 122043256
1-(azetidin-3-yl)-4-[(4-tert-butylcyclohexyl)methyl]piperazine
CID 104575667
1-[4-(cyclopropylmethyl)piperazin-1-yl]propan-2-amine
CID 61441180

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4-tert-butylcyclohexyl)methyl]piperidin-4-yl]ethanamine?
The IUPAC name of 1-[1-[(4-tert-butylcyclohexyl)methyl]piperidin-4-yl]ethanamine (CID 104575640) is 1-[1-[(4-tert-butylcyclohexyl)methyl]piperidin-4-yl]ethanamine.
What is the SMILES notation for 1-[1-[(4-tert-butylcyclohexyl)methyl]piperidin-4-yl]ethanamine?
The canonical SMILES for 1-[1-[(4-tert-butylcyclohexyl)methyl]piperidin-4-yl]ethanamine is CC(N)C1CCN(CC2CCC(C(C)(C)C)CC2)CC1.
What is the InChIKey of 1-[1-[(4-tert-butylcyclohexyl)methyl]piperidin-4-yl]ethanamine?
The InChIKey is JYANJKNEWVOHJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2/c1-14(19)16-9-11-20(12-10-16)13-15-5-7-17(8-6-15)18(2,3)4/h14-17H,5-13,19H2,1-4H3.
What are the key properties of 1-[1-[(4-tert-butylcyclohexyl)methyl]piperidin-4-yl]ethanamine?
1-[1-[(4-tert-butylcyclohexyl)methyl]piperidin-4-yl]ethanamine has a molecular weight of 280.50 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(4-tert-butylcyclohexyl)methyl]piperidin-4-yl]ethanamine is sourced from PubChem (CID 104575640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).