N-[2-(1-methylpiperidin-4-yl)ethyl]-3-propan-2-ylcyclohexan-1-amine

C17H34N2 — CID 107448828

IUPACN-[2-(1-methylpiperidin-4-yl)ethyl]-3-propan-2-ylcyclohexan-1-amine
SMILESCC(C)C1CCCC(NCCC2CCN(C)CC2)C1
InChIInChI=1S/C17H34N2/c1-14(2)16-5-4-6-17(13-16)18-10-7-15-8-11-19(3)12-9-15/h14-18H,4-13H2,1-3H3
InChIKeyAGJJRPRMBCIMMB-UHFFFAOYSA-N
MW266.47 g/mol
LogP3.52
Rot. Bonds5

About N-[2-(1-methylpiperidin-4-yl)ethyl]-3-propan-2-ylcyclohexan-1-amine

N-[2-(1-methylpiperidin-4-yl)ethyl]-3-propan-2-ylcyclohexan-1-amine (PubChem CID 107448828) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is N-[2-(1-methylpiperidin-4-yl)ethyl]-3-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[2-(1-methylpiperidin-4-yl)ethyl]-3-propan-2-ylcyclohexan-1-amine
PubChem CID107448828
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC NameN-[2-(1-methylpiperidin-4-yl)ethyl]-3-propan-2-ylcyclohexan-1-amine
SMILESCC(C)C1CCCC(NCCC2CCN(C)CC2)C1
InChIInChI=1S/C17H34N2/c1-14(2)16-5-4-6-17(13-16)18-10-7-15-8-11-19(3)12-9-15/h14-18H,4-13H2,1-3H3
InChIKeyAGJJRPRMBCIMMB-UHFFFAOYSA-N
XLogP3.52
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.47
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1-methylpyrrolidin-3-yl)methyl]-3-propan-2-ylcyclohexan-1-amine
CID 107448296
N-[2-(1-methylpiperidin-4-yl)ethyl]cyclooctanamine
CID 115717422
N-(2-cyclobutylethyl)-1-methylpiperidin-4-amine
CID 115893453
N-[2-(1-methylpiperidin-4-yl)ethyl]-3-methylsulfonylcyclohexan-1-amine
CID 114515525
4-ethyl-N-[2-(1-methylpiperidin-4-yl)ethyl]cycloheptan-1-amine
CID 114515181
3-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]cyclobutan-1-amine
CID 104859771
1-methyl-N-(3-propan-2-ylcyclohexyl)pyrrolidin-3-amine
CID 103748264
1-methyl-4-[2-(4-propan-2-ylcyclohexyl)ethyl]piperidine
CID 178033502
N-pentyl-3-propan-2-ylcyclohexan-1-amine
CID 107447748
1,5-dimethyl-N-[2-(1-methylpiperidin-4-yl)ethyl]pyrrolidin-3-amine
CID 115717377
N-hexyl-3-propan-2-ylcyclohexan-1-amine
CID 107447898
N-[2-(3-methylcyclohexyl)ethyl]-4-propan-2-ylcycloheptan-1-amine
CID 65091288

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methylpiperidin-4-yl)ethyl]-3-propan-2-ylcyclohexan-1-amine?
The IUPAC name of N-[2-(1-methylpiperidin-4-yl)ethyl]-3-propan-2-ylcyclohexan-1-amine (CID 107448828) is N-[2-(1-methylpiperidin-4-yl)ethyl]-3-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for N-[2-(1-methylpiperidin-4-yl)ethyl]-3-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for N-[2-(1-methylpiperidin-4-yl)ethyl]-3-propan-2-ylcyclohexan-1-amine is CC(C)C1CCCC(NCCC2CCN(C)CC2)C1.
What is the InChIKey of N-[2-(1-methylpiperidin-4-yl)ethyl]-3-propan-2-ylcyclohexan-1-amine?
The InChIKey is AGJJRPRMBCIMMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2/c1-14(2)16-5-4-6-17(13-16)18-10-7-15-8-11-19(3)12-9-15/h14-18H,4-13H2,1-3H3.
What are the key properties of N-[2-(1-methylpiperidin-4-yl)ethyl]-3-propan-2-ylcyclohexan-1-amine?
N-[2-(1-methylpiperidin-4-yl)ethyl]-3-propan-2-ylcyclohexan-1-amine has a molecular weight of 266.47 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methylpiperidin-4-yl)ethyl]-3-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 107448828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).