N-(cyclopropylmethyl)-6-azabicyclo[3.2.1]octan-3-amine

C11H20N2 — CID 165469238

IUPACN-(cyclopropylmethyl)-6-azabicyclo[3.2.1]octan-3-amine
SMILESC1CC1CNC1CC2CNC(C2)C1
InChIInChI=1S/C11H20N2/c1-2-8(1)6-12-10-3-9-4-11(5-10)13-7-9/h8-13H,1-7H2
InChIKeyLRHVYJKJGPFEBZ-UHFFFAOYSA-N
MW180.29 g/mol
LogP1.13
Rot. Bonds3

About N-(cyclopropylmethyl)-6-azabicyclo[3.2.1]octan-3-amine

N-(cyclopropylmethyl)-6-azabicyclo[3.2.1]octan-3-amine (PubChem CID 165469238) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-6-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-6-azabicyclo[3.2.1]octan-3-amine
PubChem CID165469238
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC NameN-(cyclopropylmethyl)-6-azabicyclo[3.2.1]octan-3-amine
SMILESC1CC1CNC1CC2CNC(C2)C1
InChIInChI=1S/C11H20N2/c1-2-8(1)6-12-10-3-9-4-11(5-10)13-7-9/h8-13H,1-7H2
InChIKeyLRHVYJKJGPFEBZ-UHFFFAOYSA-N
XLogP1.13
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-6-azabicyclo[3.2.1]octan-3-amine
CID 171036183
N-(6-azabicyclo[3.2.1]octan-3-yl)-2-chloroacetamide
CID 165463592
N-(cyclopropylmethyl)pyrrolidin-3-amine
CID 53350336
4-(6-azabicyclo[3.2.1]octan-3-ylamino)-4-oxobutanoic acid
CID 165463588
N-[[4-(aminomethyl)cyclohexyl]methyl]-3-methylcyclobutan-1-amine
CID 104963633
3-(piperidin-4-ylmethylamino)cyclobutan-1-ol
CID 79707508
3,4-dimethyl-N-[(4-methylcyclohexyl)methyl]cyclohexan-1-amine
CID 64745632
3-N-[(4-ethylcyclohexyl)methyl]cyclopentane-1,3-diamine
CID 79461789
N-[(4-ethylcyclohexyl)methyl]-3-methoxycyclobutan-1-amine
CID 104871436
N-(azetidin-3-ylmethyl)-3-methylcyclopentan-1-amine
CID 114547373
N-[(3-methylcyclopentyl)methyl]azetidin-3-amine
CID 107412080
N-(cyclohexylmethyl)-3-phenylcyclobutan-1-amine
CID 43632316

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-6-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of N-(cyclopropylmethyl)-6-azabicyclo[3.2.1]octan-3-amine (CID 165469238) is N-(cyclopropylmethyl)-6-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-6-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for N-(cyclopropylmethyl)-6-azabicyclo[3.2.1]octan-3-amine is C1CC1CNC1CC2CNC(C2)C1.
What is the InChIKey of N-(cyclopropylmethyl)-6-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is LRHVYJKJGPFEBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-2-8(1)6-12-10-3-9-4-11(5-10)13-7-9/h8-13H,1-7H2.
What are the key properties of N-(cyclopropylmethyl)-6-azabicyclo[3.2.1]octan-3-amine?
N-(cyclopropylmethyl)-6-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 180.29 g/mol, XLogP of 1.13, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-6-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 165469238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).