[1-[(4-tert-butylcyclohexyl)methyl]-3-methylpiperidin-2-yl]methanamine

C18H36N2 — CID 104575650

IUPAC[1-[(4-tert-butylcyclohexyl)methyl]-3-methylpiperidin-2-yl]methanamine
SMILESCC1CCCN(CC2CCC(C(C)(C)C)CC2)C1CN
InChIInChI=1S/C18H36N2/c1-14-6-5-11-20(17(14)12-19)13-15-7-9-16(10-8-15)18(2,3)4/h14-17H,5-13,19H2,1-4H3
InChIKeyRDCMHQJDZUXWAP-UHFFFAOYSA-N
MW280.50 g/mol
LogP3.90
Rot. Bonds3

About [1-[(4-tert-butylcyclohexyl)methyl]-3-methylpiperidin-2-yl]methanamine

[1-[(4-tert-butylcyclohexyl)methyl]-3-methylpiperidin-2-yl]methanamine (PubChem CID 104575650) has the molecular formula C18H36N2 and a molecular weight of 280.50 g/mol. Its IUPAC name is [1-[(4-tert-butylcyclohexyl)methyl]-3-methylpiperidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-[(4-tert-butylcyclohexyl)methyl]-3-methylpiperidin-2-yl]methanamine
PubChem CID104575650
Molecular FormulaC18H36N2
Molecular Weight280.50 g/mol
Exact Mass280.29
IUPAC Name[1-[(4-tert-butylcyclohexyl)methyl]-3-methylpiperidin-2-yl]methanamine
SMILESCC1CCCN(CC2CCC(C(C)(C)C)CC2)C1CN
InChIInChI=1S/C18H36N2/c1-14-6-5-11-20(17(14)12-19)13-15-7-9-16(10-8-15)18(2,3)4/h14-17H,5-13,19H2,1-4H3
InChIKeyRDCMHQJDZUXWAP-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

Analyze [1-[(4-tert-butylcyclohexyl)methyl]-3-methylpiperidin-2-yl]methanamine with MolForge

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Related Compounds

(2S)-2-N-[(4-tert-butylcyclohexyl)methyl]-1-N-[(2R)-1-(methylamino)propan-2-yl]hexane-1,2-diamine
CID 24792593
(4-tert-butylcyclohexyl)methyl-[(1S)-1-[[[(1R,2R)-2-methyl-1-(methylaminomethyl)butyl]amino]methyl]butyl]amine
CID 24792601
(2S,3S)-2-((R)-4-(3-cyclohexylpropyl)-3-isopropylpiperazin-1-yl)-N,3-dimethylpentan-1-amine
CID 45482257
2-[2-Cyclohexyl-2-(4,4-dimethylcyclohexyl)ethyl]piperidine
CID 137640227
1-(4-Tert-butylcyclohexyl)-4-ethylpiperazine
CID 784591
3-Azaspiro(5.5)undecane, 9-tert-butyl-3-(3-(dimethylamino)propyl)-, dihydrochloride
CID 56992
1-(4,4-Dimethylcyclohexyl)piperazine
CID 22179853
I(2)-Cyclohexyl-4-methyl-1-piperazineethanamine
CID 16789275
1-(3,3-Dimethylcyclohexyl)piperazine
CID 64467057
Sdccgsbi-0662976.P001
CID 104744316
1-cyclohexyl-N-(2-piperidin-1-ylethyl)pentan-2-amine
CID 172451235
2-cyclohexyl-N-[1-(4-methylpiperazin-1-yl)propan-2-yl]cyclohexan-1-amine
CID 75428008

Frequently Asked Questions

What is the IUPAC name of [1-[(4-tert-butylcyclohexyl)methyl]-3-methylpiperidin-2-yl]methanamine?
The IUPAC name of [1-[(4-tert-butylcyclohexyl)methyl]-3-methylpiperidin-2-yl]methanamine (CID 104575650) is [1-[(4-tert-butylcyclohexyl)methyl]-3-methylpiperidin-2-yl]methanamine.
What is the SMILES notation for [1-[(4-tert-butylcyclohexyl)methyl]-3-methylpiperidin-2-yl]methanamine?
The canonical SMILES for [1-[(4-tert-butylcyclohexyl)methyl]-3-methylpiperidin-2-yl]methanamine is CC1CCCN(CC2CCC(C(C)(C)C)CC2)C1CN.
What is the InChIKey of [1-[(4-tert-butylcyclohexyl)methyl]-3-methylpiperidin-2-yl]methanamine?
The InChIKey is RDCMHQJDZUXWAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2/c1-14-6-5-11-20(17(14)12-19)13-15-7-9-16(10-8-15)18(2,3)4/h14-17H,5-13,19H2,1-4H3.
What are the key properties of [1-[(4-tert-butylcyclohexyl)methyl]-3-methylpiperidin-2-yl]methanamine?
[1-[(4-tert-butylcyclohexyl)methyl]-3-methylpiperidin-2-yl]methanamine 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-[(4-tert-butylcyclohexyl)methyl]-3-methylpiperidin-2-yl]methanamine is sourced from PubChem (CID 104575650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).