[4-(2-azabicyclo[2.2.1]heptan-2-yl)-1-propan-2-ylazepan-4-yl]methanamine

C16H31N3 — CID 65078715

IUPAC[4-(2-azabicyclo[2.2.1]heptan-2-yl)-1-propan-2-ylazepan-4-yl]methanamine
SMILESCC(C)N1CCCC(CN)(N2CC3CCC2C3)CC1
InChIInChI=1S/C16H31N3/c1-13(2)18-8-3-6-16(12-17,7-9-18)19-11-14-4-5-15(19)10-14/h13-15H,3-12,17H2,1-2H3
InChIKeyYBUHGNBCAUFXLB-UHFFFAOYSA-N
MW265.44 g/mol
LogP2.06
Rot. Bonds3

About [4-(2-azabicyclo[2.2.1]heptan-2-yl)-1-propan-2-ylazepan-4-yl]methanamine

[4-(2-azabicyclo[2.2.1]heptan-2-yl)-1-propan-2-ylazepan-4-yl]methanamine (PubChem CID 65078715) has the molecular formula C16H31N3 and a molecular weight of 265.44 g/mol. Its IUPAC name is [4-(2-azabicyclo[2.2.1]heptan-2-yl)-1-propan-2-ylazepan-4-yl]methanamine.

Molecular Properties

Compound Name[4-(2-azabicyclo[2.2.1]heptan-2-yl)-1-propan-2-ylazepan-4-yl]methanamine
PubChem CID65078715
Molecular FormulaC16H31N3
Molecular Weight265.44 g/mol
Exact Mass265.25
IUPAC Name[4-(2-azabicyclo[2.2.1]heptan-2-yl)-1-propan-2-ylazepan-4-yl]methanamine
SMILESCC(C)N1CCCC(CN)(N2CC3CCC2C3)CC1
InChIInChI=1S/C16H31N3/c1-13(2)18-8-3-6-16(12-17,7-9-18)19-11-14-4-5-15(19)10-14/h13-15H,3-12,17H2,1-2H3
InChIKeyYBUHGNBCAUFXLB-UHFFFAOYSA-N
XLogP2.06
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-(2-azabicyclo[2.2.1]heptan-2-yl)-1-propan-2-ylazepan-4-yl]methanamine with MolForge

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Related Compounds

[1-(2-azabicyclo[2.2.1]heptan-2-yl)cyclododecyl]methanamine
CID 63471950
[1-(2-azabicyclo[2.2.1]heptan-2-yl)-4,4-dimethylcycloheptyl]methanamine
CID 65088275
[4-(3-methylpyrrolidin-1-yl)-1-propan-2-ylazepan-4-yl]methanamine
CID 65078662
[1-propan-2-yl-4-(2-propylpiperidin-1-yl)azepan-4-yl]methanamine
CID 83052822
[1-(2-azabicyclo[2.2.1]heptan-2-yl)-4-propylcyclohexyl]methanamine
CID 54980477
[4-(4,4-dimethylazepan-1-yl)-1-propan-2-ylazepan-4-yl]methanamine
CID 65283742
1-[4-(aminomethyl)-1-propan-2-ylazepan-4-yl]-N,N-dimethylpiperidin-4-amine
CID 65078068
[4-(2,4-dimethylpiperidin-1-yl)-1-propan-2-ylpiperidin-4-yl]methanamine
CID 55062043
[3-(2-azabicyclo[2.2.1]heptan-2-yl)-5,5-dimethylthian-3-yl]methanamine
CID 79959160
[4-(3-methoxypyrrolidin-1-yl)-1-propan-2-ylpiperidin-4-yl]methanamine
CID 103531579
4-(aminomethyl)-N-cyclopropyl-1-propan-2-yl-N-propylazepan-4-amine
CID 65078360
4-(aminomethyl)-N,N-diethyl-1-propan-2-ylazepan-4-amine
CID 65078106

Frequently Asked Questions

What is the IUPAC name of [4-(2-azabicyclo[2.2.1]heptan-2-yl)-1-propan-2-ylazepan-4-yl]methanamine?
The IUPAC name of [4-(2-azabicyclo[2.2.1]heptan-2-yl)-1-propan-2-ylazepan-4-yl]methanamine (CID 65078715) is [4-(2-azabicyclo[2.2.1]heptan-2-yl)-1-propan-2-ylazepan-4-yl]methanamine.
What is the SMILES notation for [4-(2-azabicyclo[2.2.1]heptan-2-yl)-1-propan-2-ylazepan-4-yl]methanamine?
The canonical SMILES for [4-(2-azabicyclo[2.2.1]heptan-2-yl)-1-propan-2-ylazepan-4-yl]methanamine is CC(C)N1CCCC(CN)(N2CC3CCC2C3)CC1.
What is the InChIKey of [4-(2-azabicyclo[2.2.1]heptan-2-yl)-1-propan-2-ylazepan-4-yl]methanamine?
The InChIKey is YBUHGNBCAUFXLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3/c1-13(2)18-8-3-6-16(12-17,7-9-18)19-11-14-4-5-15(19)10-14/h13-15H,3-12,17H2,1-2H3.
What are the key properties of [4-(2-azabicyclo[2.2.1]heptan-2-yl)-1-propan-2-ylazepan-4-yl]methanamine?
[4-(2-azabicyclo[2.2.1]heptan-2-yl)-1-propan-2-ylazepan-4-yl]methanamine has a molecular weight of 265.44 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-azabicyclo[2.2.1]heptan-2-yl)-1-propan-2-ylazepan-4-yl]methanamine is sourced from PubChem (CID 65078715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).