N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-4-propylcycloheptan-1-amine

C19H36N2 — CID 65091165

IUPACN-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-4-propylcycloheptan-1-amine
SMILESCCCC1CCCC(NCC2CC3CCC(C2)N3C)CC1
InChIInChI=1S/C19H36N2/c1-3-5-15-6-4-7-17(9-8-15)20-14-16-12-18-10-11-19(13-16)21(18)2/h15-20H,3-14H2,1-2H3
InChIKeyDCARSUGVANHRHB-UHFFFAOYSA-N
MW292.51 g/mol
LogP4.20
Rot. Bonds5

About N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-4-propylcycloheptan-1-amine

N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-4-propylcycloheptan-1-amine (PubChem CID 65091165) has the molecular formula C19H36N2 and a molecular weight of 292.51 g/mol. Its IUPAC name is N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-4-propylcycloheptan-1-amine.

Molecular Properties

Compound NameN-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-4-propylcycloheptan-1-amine
PubChem CID65091165
Molecular FormulaC19H36N2
Molecular Weight292.51 g/mol
Exact Mass292.29
IUPAC NameN-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-4-propylcycloheptan-1-amine
SMILESCCCC1CCCC(NCC2CC3CCC(C2)N3C)CC1
InChIInChI=1S/C19H36N2/c1-3-5-15-6-4-7-17(9-8-15)20-14-16-12-18-10-11-19(13-16)21(18)2/h15-20H,3-14H2,1-2H3
InChIKeyDCARSUGVANHRHB-UHFFFAOYSA-N
XLogP4.20
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.51
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-4-propylcycloheptan-1-amine with MolForge

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Related Compounds

3-[[(4-propylcycloheptyl)amino]methyl]cyclohexan-1-ol
CID 106124372
N-[(1-ethylpiperidin-4-yl)methyl]-4-propylcycloheptan-1-amine
CID 65091371
N-(cyclopropylmethyl)-1-(4-propylcycloheptyl)piperidin-4-amine
CID 115306940
N-[(3-propylcyclobutyl)methyl]cyclopentanamine
CID 97034535
N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-4-propylcycloheptan-1-amine
CID 65091119
N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 62704083
3-methyl-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]cyclopentan-1-amine
CID 64501752
N-(oxolan-3-ylmethyl)-4-propylcycloheptan-1-amine
CID 65091062
N-(cyclopentylmethyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 65472545
4-[[(4-propylcycloheptyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 79530082
4-propyl-N-(2-pyrrolidin-1-ylethyl)cycloheptan-1-amine
CID 65087017
N-cyclobutyl-4-propylcycloheptan-1-amine
CID 65091278

Frequently Asked Questions

What is the IUPAC name of N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-4-propylcycloheptan-1-amine?
The IUPAC name of N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-4-propylcycloheptan-1-amine (CID 65091165) is N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-4-propylcycloheptan-1-amine.
What is the SMILES notation for N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-4-propylcycloheptan-1-amine?
The canonical SMILES for N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-4-propylcycloheptan-1-amine is CCCC1CCCC(NCC2CC3CCC(C2)N3C)CC1.
What is the InChIKey of N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-4-propylcycloheptan-1-amine?
The InChIKey is DCARSUGVANHRHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N2/c1-3-5-15-6-4-7-17(9-8-15)20-14-16-12-18-10-11-19(13-16)21(18)2/h15-20H,3-14H2,1-2H3.
What are the key properties of N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-4-propylcycloheptan-1-amine?
N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-4-propylcycloheptan-1-amine has a molecular weight of 292.51 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-4-propylcycloheptan-1-amine is sourced from PubChem (CID 65091165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).