2-(4-tert-butylpiperidin-1-yl)-N-methylcycloheptan-1-amine

C17H34N2 — CID 55032625

IUPAC2-(4-tert-butylpiperidin-1-yl)-N-methylcycloheptan-1-amine
SMILESCNC1CCCCCC1N1CCC(C(C)(C)C)CC1
InChIInChI=1S/C17H34N2/c1-17(2,3)14-10-12-19(13-11-14)16-9-7-5-6-8-15(16)18-4/h14-16,18H,5-13H2,1-4H3
InChIKeyXHEUBHNHWYMFEK-UHFFFAOYSA-N
MW266.47 g/mol
LogP3.67
Rot. Bonds2

About 2-(4-tert-butylpiperidin-1-yl)-N-methylcycloheptan-1-amine

2-(4-tert-butylpiperidin-1-yl)-N-methylcycloheptan-1-amine (PubChem CID 55032625) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is 2-(4-tert-butylpiperidin-1-yl)-N-methylcycloheptan-1-amine.

Molecular Properties

Compound Name2-(4-tert-butylpiperidin-1-yl)-N-methylcycloheptan-1-amine
PubChem CID55032625
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC Name2-(4-tert-butylpiperidin-1-yl)-N-methylcycloheptan-1-amine
SMILESCNC1CCCCCC1N1CCC(C(C)(C)C)CC1
InChIInChI=1S/C17H34N2/c1-17(2,3)14-10-12-19(13-11-14)16-9-7-5-6-8-15(16)18-4/h14-16,18H,5-13H2,1-4H3
InChIKeyXHEUBHNHWYMFEK-UHFFFAOYSA-N
XLogP3.67
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.47
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1S,2S)-N-methyl-2-piperidin-1-ylcyclohexan-1-amine
CID 70351898
N-methyl-2-(4-methylpiperidin-1-yl)cyclododecan-1-amine
CID 63467436
2-(4-tert-butylpiperidin-1-yl)-N,4-dimethylcyclohexan-1-amine
CID 62089516
trans-(1S,2S)-N-methyl-2-pyrrolidin-1-ylcyclopentan-1-amine
CID 67550021
N-methyl-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]cycloheptan-1-amine
CID 62997233
2-[4-(methoxymethyl)piperidin-1-yl]-N-methylcyclooctan-1-amine
CID 63971324
N-methyl-2-(1,4-oxazepan-4-yl)cyclooctan-1-amine
CID 62988145
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-methylcycloheptan-1-amine
CID 113335649
N-[(4-tert-butylcyclohexyl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 104574898
tert-butylcyclohexane;4-tert-butyl-1-methylpiperidine
CID 162008931
N,N-diethyl-1-[2-(methylamino)cycloheptyl]pyrrolidin-3-amine
CID 55158009
4-tert-butyl-2-(4-ethylpiperidin-1-yl)-N-methylcyclohexan-1-amine
CID 63468858

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylpiperidin-1-yl)-N-methylcycloheptan-1-amine?
The IUPAC name of 2-(4-tert-butylpiperidin-1-yl)-N-methylcycloheptan-1-amine (CID 55032625) is 2-(4-tert-butylpiperidin-1-yl)-N-methylcycloheptan-1-amine.
What is the SMILES notation for 2-(4-tert-butylpiperidin-1-yl)-N-methylcycloheptan-1-amine?
The canonical SMILES for 2-(4-tert-butylpiperidin-1-yl)-N-methylcycloheptan-1-amine is CNC1CCCCCC1N1CCC(C(C)(C)C)CC1.
What is the InChIKey of 2-(4-tert-butylpiperidin-1-yl)-N-methylcycloheptan-1-amine?
The InChIKey is XHEUBHNHWYMFEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2/c1-17(2,3)14-10-12-19(13-11-14)16-9-7-5-6-8-15(16)18-4/h14-16,18H,5-13H2,1-4H3.
What are the key properties of 2-(4-tert-butylpiperidin-1-yl)-N-methylcycloheptan-1-amine?
2-(4-tert-butylpiperidin-1-yl)-N-methylcycloheptan-1-amine has a molecular weight of 266.47 g/mol, XLogP of 3.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylpiperidin-1-yl)-N-methylcycloheptan-1-amine is sourced from PubChem (CID 55032625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).