N-[(4-tert-butylcyclohexyl)methyl]-N-ethylpiperidin-3-amine

C18H36N2 — CID 104575642

IUPACN-[(4-tert-butylcyclohexyl)methyl]-N-ethylpiperidin-3-amine
SMILESCCN(CC1CCC(C(C)(C)C)CC1)C1CCCNC1
InChIInChI=1S/C18H36N2/c1-5-20(17-7-6-12-19-13-17)14-15-8-10-16(11-9-15)18(2,3)4/h15-17,19H,5-14H2,1-4H3
InChIKeySLQJQBAOVDZZCZ-UHFFFAOYSA-N
MW280.50 g/mol
LogP3.91
Rot. Bonds4

About N-[(4-tert-butylcyclohexyl)methyl]-N-ethylpiperidin-3-amine

N-[(4-tert-butylcyclohexyl)methyl]-N-ethylpiperidin-3-amine (PubChem CID 104575642) has the molecular formula C18H36N2 and a molecular weight of 280.50 g/mol. Its IUPAC name is N-[(4-tert-butylcyclohexyl)methyl]-N-ethylpiperidin-3-amine.

Molecular Properties

Compound NameN-[(4-tert-butylcyclohexyl)methyl]-N-ethylpiperidin-3-amine
PubChem CID104575642
Molecular FormulaC18H36N2
Molecular Weight280.50 g/mol
Exact Mass280.29
IUPAC NameN-[(4-tert-butylcyclohexyl)methyl]-N-ethylpiperidin-3-amine
SMILESCCN(CC1CCC(C(C)(C)C)CC1)C1CCCNC1
InChIInChI=1S/C18H36N2/c1-5-20(17-7-6-12-19-13-17)14-15-8-10-16(11-9-15)18(2,3)4/h15-17,19H,5-14H2,1-4H3
InChIKeySLQJQBAOVDZZCZ-UHFFFAOYSA-N
XLogP3.91
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.50
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-tert-butylcyclohexyl)methyl]-N-ethylazetidin-3-amine
CID 113428540
N-ethyl-4-(2-methylbutan-2-yl)-N-(piperidin-3-ylmethyl)cyclohexan-1-amine
CID 106624584
N-(cycloheptylmethyl)-N-ethylazetidin-3-amine
CID 66181850
4-[ethyl(piperidin-3-yl)amino]-2-methylbutan-2-ol
CID 79354875
N-ethyl-N-propylpiperidin-3-amine
CID 43317075
1-[ethyl(piperidin-3-yl)amino]-2-methylbutan-2-ol
CID 114496456
N-ethyl-N-(oxan-4-ylmethyl)pyrrolidin-3-amine
CID 63299374
N-ethyl-N-(oxolan-2-ylmethyl)piperidin-3-amine
CID 61434221
N-ethyl-N-(piperidin-3-ylmethyl)-4-propan-2-ylcyclohexan-1-amine
CID 106624491
N-ethyl-N-(3-methoxy-3-methylbutyl)piperidin-3-amine
CID 103034843
N-ethyl-N-(piperidin-3-ylmethyl)-3-propan-2-ylcyclohexan-1-amine
CID 107449593
N-ethyl-N-(pyrrolidin-3-ylmethyl)cyclohexanamine
CID 56831738

Frequently Asked Questions

What is the IUPAC name of N-[(4-tert-butylcyclohexyl)methyl]-N-ethylpiperidin-3-amine?
The IUPAC name of N-[(4-tert-butylcyclohexyl)methyl]-N-ethylpiperidin-3-amine (CID 104575642) is N-[(4-tert-butylcyclohexyl)methyl]-N-ethylpiperidin-3-amine.
What is the SMILES notation for N-[(4-tert-butylcyclohexyl)methyl]-N-ethylpiperidin-3-amine?
The canonical SMILES for N-[(4-tert-butylcyclohexyl)methyl]-N-ethylpiperidin-3-amine is CCN(CC1CCC(C(C)(C)C)CC1)C1CCCNC1.
What is the InChIKey of N-[(4-tert-butylcyclohexyl)methyl]-N-ethylpiperidin-3-amine?
The InChIKey is SLQJQBAOVDZZCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2/c1-5-20(17-7-6-12-19-13-17)14-15-8-10-16(11-9-15)18(2,3)4/h15-17,19H,5-14H2,1-4H3.
What are the key properties of N-[(4-tert-butylcyclohexyl)methyl]-N-ethylpiperidin-3-amine?
N-[(4-tert-butylcyclohexyl)methyl]-N-ethylpiperidin-3-amine has a molecular weight of 280.50 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-tert-butylcyclohexyl)methyl]-N-ethylpiperidin-3-amine is sourced from PubChem (CID 104575642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).