2-[1-[(4-tert-butylcyclohexyl)methyl]piperidin-3-yl]ethanamine

C18H36N2 — CID 104575648

IUPAC2-[1-[(4-tert-butylcyclohexyl)methyl]piperidin-3-yl]ethanamine
SMILESCC(C)(C)C1CCC(CN2CCCC(CCN)C2)CC1
InChIInChI=1S/C18H36N2/c1-18(2,3)17-8-6-16(7-9-17)14-20-12-4-5-15(13-20)10-11-19/h15-17H,4-14,19H2,1-3H3
InChIKeyJBVZJCPBBRFCCB-UHFFFAOYSA-N
MW280.50 g/mol
LogP3.90
Rot. Bonds4

About 2-[1-[(4-tert-butylcyclohexyl)methyl]piperidin-3-yl]ethanamine

2-[1-[(4-tert-butylcyclohexyl)methyl]piperidin-3-yl]ethanamine (PubChem CID 104575648) has the molecular formula C18H36N2 and a molecular weight of 280.50 g/mol. Its IUPAC name is 2-[1-[(4-tert-butylcyclohexyl)methyl]piperidin-3-yl]ethanamine.

Molecular Properties

Compound Name2-[1-[(4-tert-butylcyclohexyl)methyl]piperidin-3-yl]ethanamine
PubChem CID104575648
Molecular FormulaC18H36N2
Molecular Weight280.50 g/mol
Exact Mass280.29
IUPAC Name2-[1-[(4-tert-butylcyclohexyl)methyl]piperidin-3-yl]ethanamine
SMILESCC(C)(C)C1CCC(CN2CCCC(CCN)C2)CC1
InChIInChI=1S/C18H36N2/c1-18(2,3)17-8-6-16(7-9-17)14-20-12-4-5-15(13-20)10-11-19/h15-17H,4-14,19H2,1-3H3
InChIKeyJBVZJCPBBRFCCB-UHFFFAOYSA-N
XLogP3.90
TPSA29.26 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 ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-tert-butylcyclohexyl)methyl]piperidine-3-carboxylic acid
CID 104576017
1-[(4-tert-butylcyclohexyl)methyl]azetidin-3-amine
CID 104575657
2-[1-(2-fluoroethyl)piperidin-3-yl]ethanamine
CID 80695268
[(3R)-1-(cyclohexylmethyl)piperidin-3-yl]methanamine
CID 42253697
2-[1-(oxan-2-ylmethyl)piperidin-3-yl]ethanamine
CID 63762643
2-(1-heptylpiperidin-3-yl)ethanamine
CID 63764597
1-(cyclobutylmethyl)-3-ethylpiperidine
CID 143174975
1-[(3R)-1-(cyclopropylmethyl)piperidin-3-yl]-N-methylmethanamine
CID 42254173
2-[3-(2-aminoethyl)piperidin-1-yl]-N-methyl-N-propan-2-ylacetamide
CID 63763892
2-[1-[(4-propan-2-ylmorpholin-2-yl)methyl]piperidin-3-yl]ethanamine
CID 64532949
2-[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-3-yl]ethanamine
CID 102899408
[1-[(4-tert-butylcyclohexyl)methyl]-3-methylpiperidin-2-yl]methanamine
CID 104575650

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-tert-butylcyclohexyl)methyl]piperidin-3-yl]ethanamine?
The IUPAC name of 2-[1-[(4-tert-butylcyclohexyl)methyl]piperidin-3-yl]ethanamine (CID 104575648) is 2-[1-[(4-tert-butylcyclohexyl)methyl]piperidin-3-yl]ethanamine.
What is the SMILES notation for 2-[1-[(4-tert-butylcyclohexyl)methyl]piperidin-3-yl]ethanamine?
The canonical SMILES for 2-[1-[(4-tert-butylcyclohexyl)methyl]piperidin-3-yl]ethanamine is CC(C)(C)C1CCC(CN2CCCC(CCN)C2)CC1.
What is the InChIKey of 2-[1-[(4-tert-butylcyclohexyl)methyl]piperidin-3-yl]ethanamine?
The InChIKey is JBVZJCPBBRFCCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2/c1-18(2,3)17-8-6-16(7-9-17)14-20-12-4-5-15(13-20)10-11-19/h15-17H,4-14,19H2,1-3H3.
What are the key properties of 2-[1-[(4-tert-butylcyclohexyl)methyl]piperidin-3-yl]ethanamine?
2-[1-[(4-tert-butylcyclohexyl)methyl]piperidin-3-yl]ethanamine has a molecular weight of 280.50 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-tert-butylcyclohexyl)methyl]piperidin-3-yl]ethanamine is sourced from PubChem (CID 104575648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).