N-(7-azabicyclo[2.2.1]heptan-2-ylmethyl)-N-(cyclobutylmethyl)ethanamine

C14H26N2 — CID 107399411

IUPACN-(7-azabicyclo[2.2.1]heptan-2-ylmethyl)-N-(cyclobutylmethyl)ethanamine
SMILESCCN(CC1CCC1)CC1CC2CCC1N2
InChIInChI=1S/C14H26N2/c1-2-16(9-11-4-3-5-11)10-12-8-13-6-7-14(12)15-13/h11-15H,2-10H2,1H3
InChIKeyVAPXLMBPCMJYTR-UHFFFAOYSA-N
MW222.38 g/mol
LogP2.25
Rot. Bonds5

About N-(7-azabicyclo[2.2.1]heptan-2-ylmethyl)-N-(cyclobutylmethyl)ethanamine

N-(7-azabicyclo[2.2.1]heptan-2-ylmethyl)-N-(cyclobutylmethyl)ethanamine (PubChem CID 107399411) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is N-(7-azabicyclo[2.2.1]heptan-2-ylmethyl)-N-(cyclobutylmethyl)ethanamine.

Molecular Properties

Compound NameN-(7-azabicyclo[2.2.1]heptan-2-ylmethyl)-N-(cyclobutylmethyl)ethanamine
PubChem CID107399411
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC NameN-(7-azabicyclo[2.2.1]heptan-2-ylmethyl)-N-(cyclobutylmethyl)ethanamine
SMILESCCN(CC1CCC1)CC1CC2CCC1N2
InChIInChI=1S/C14H26N2/c1-2-16(9-11-4-3-5-11)10-12-8-13-6-7-14(12)15-13/h11-15H,2-10H2,1H3
InChIKeyVAPXLMBPCMJYTR-UHFFFAOYSA-N
XLogP2.25
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(cyclobutylmethyl)-N-ethylethanamine
CID 107399300
1-(7-azabicyclo[2.2.1]heptan-2-yl)-N-methoxy-N-methylmethanamine
CID 114396489
2-[[cyclobutylmethyl(ethyl)amino]methyl]-4-ethylcyclohexan-1-amine
CID 107401528
N-(cyclobutylmethyl)-N-[(2-methylpiperidin-4-yl)methyl]ethanamine
CID 107399332
N-[[(1R,2R)-2-(diethylaminomethyl)cyclopentyl]methyl]-N-ethylethanamine
CID 10538046
2-[[cyclobutylmethyl(ethyl)amino]methyl]-N-ethylcyclohexan-1-amine
CID 107401671
N-(cyclobutylmethyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 65456700
2-[[cyclobutylmethyl(ethyl)amino]methyl]-4-methyl-N-propylcyclohexan-1-amine
CID 107401526
3-(diethylaminomethyl)cyclohexan-1-amine
CID 63045933
1-[[cyclobutylmethyl(ethyl)amino]methyl]cyclopropan-1-amine
CID 107399406
2-[[cyclopropylmethyl(ethyl)amino]methyl]cyclohexan-1-ol
CID 63938716
2-[[cyclobutylmethyl(ethyl)amino]methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine
CID 107401543

Frequently Asked Questions

What is the IUPAC name of N-(7-azabicyclo[2.2.1]heptan-2-ylmethyl)-N-(cyclobutylmethyl)ethanamine?
The IUPAC name of N-(7-azabicyclo[2.2.1]heptan-2-ylmethyl)-N-(cyclobutylmethyl)ethanamine (CID 107399411) is N-(7-azabicyclo[2.2.1]heptan-2-ylmethyl)-N-(cyclobutylmethyl)ethanamine.
What is the SMILES notation for N-(7-azabicyclo[2.2.1]heptan-2-ylmethyl)-N-(cyclobutylmethyl)ethanamine?
The canonical SMILES for N-(7-azabicyclo[2.2.1]heptan-2-ylmethyl)-N-(cyclobutylmethyl)ethanamine is CCN(CC1CCC1)CC1CC2CCC1N2.
What is the InChIKey of N-(7-azabicyclo[2.2.1]heptan-2-ylmethyl)-N-(cyclobutylmethyl)ethanamine?
The InChIKey is VAPXLMBPCMJYTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2/c1-2-16(9-11-4-3-5-11)10-12-8-13-6-7-14(12)15-13/h11-15H,2-10H2,1H3.
What are the key properties of N-(7-azabicyclo[2.2.1]heptan-2-ylmethyl)-N-(cyclobutylmethyl)ethanamine?
N-(7-azabicyclo[2.2.1]heptan-2-ylmethyl)-N-(cyclobutylmethyl)ethanamine has a molecular weight of 222.38 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-azabicyclo[2.2.1]heptan-2-ylmethyl)-N-(cyclobutylmethyl)ethanamine is sourced from PubChem (CID 107399411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).