N-[2-[(tert-butylamino)methyl]cyclobutyl]-N,2-dimethylcyclohexan-1-amine

C17H34N2 — CID 81000066

IUPACN-[2-[(tert-butylamino)methyl]cyclobutyl]-N,2-dimethylcyclohexan-1-amine
SMILESCC1CCCCC1N(C)C1CCC1CNC(C)(C)C
InChIInChI=1S/C17H34N2/c1-13-8-6-7-9-15(13)19(5)16-11-10-14(16)12-18-17(2,3)4/h13-16,18H,6-12H2,1-5H3
InChIKeyAXSKSBKDIIQUKE-UHFFFAOYSA-N
MW266.47 g/mol
LogP3.66
Rot. Bonds4

About N-[2-[(tert-butylamino)methyl]cyclobutyl]-N,2-dimethylcyclohexan-1-amine

N-[2-[(tert-butylamino)methyl]cyclobutyl]-N,2-dimethylcyclohexan-1-amine (PubChem CID 81000066) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is N-[2-[(tert-butylamino)methyl]cyclobutyl]-N,2-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[2-[(tert-butylamino)methyl]cyclobutyl]-N,2-dimethylcyclohexan-1-amine
PubChem CID81000066
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC NameN-[2-[(tert-butylamino)methyl]cyclobutyl]-N,2-dimethylcyclohexan-1-amine
SMILESCC1CCCCC1N(C)C1CCC1CNC(C)(C)C
InChIInChI=1S/C17H34N2/c1-13-8-6-7-9-15(13)19(5)16-11-10-14(16)12-18-17(2,3)4/h13-16,18H,6-12H2,1-5H3
InChIKeyAXSKSBKDIIQUKE-UHFFFAOYSA-N
XLogP3.66
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.47
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(tert-butylamino)methyl]cyclobutyl]-N,2-dimethylcyclohexan-1-amine?
The IUPAC name of N-[2-[(tert-butylamino)methyl]cyclobutyl]-N,2-dimethylcyclohexan-1-amine (CID 81000066) is N-[2-[(tert-butylamino)methyl]cyclobutyl]-N,2-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-[2-[(tert-butylamino)methyl]cyclobutyl]-N,2-dimethylcyclohexan-1-amine?
The canonical SMILES for N-[2-[(tert-butylamino)methyl]cyclobutyl]-N,2-dimethylcyclohexan-1-amine is CC1CCCCC1N(C)C1CCC1CNC(C)(C)C.
What is the InChIKey of N-[2-[(tert-butylamino)methyl]cyclobutyl]-N,2-dimethylcyclohexan-1-amine?
The InChIKey is AXSKSBKDIIQUKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2/c1-13-8-6-7-9-15(13)19(5)16-11-10-14(16)12-18-17(2,3)4/h13-16,18H,6-12H2,1-5H3.
What are the key properties of N-[2-[(tert-butylamino)methyl]cyclobutyl]-N,2-dimethylcyclohexan-1-amine?
N-[2-[(tert-butylamino)methyl]cyclobutyl]-N,2-dimethylcyclohexan-1-amine has a molecular weight of 266.47 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(tert-butylamino)methyl]cyclobutyl]-N,2-dimethylcyclohexan-1-amine is sourced from PubChem (CID 81000066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).