N-[[1-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)cyclopentyl]methyl]cyclopropanamine

C16H28N2 — CID 62260616

IUPACN-[[1-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)cyclopentyl]methyl]cyclopropanamine
SMILESC1CCC(CNC2CC2)(CN2CC3CCC2C3)C1
InChIInChI=1S/C16H28N2/c1-2-8-16(7-1,11-17-14-4-5-14)12-18-10-13-3-6-15(18)9-13/h13-15,17H,1-12H2
InChIKeyZNTPDGKEPQKRBA-UHFFFAOYSA-N
MW248.41 g/mol
LogP2.78
Rot. Bonds5

About N-[[1-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)cyclopentyl]methyl]cyclopropanamine

N-[[1-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)cyclopentyl]methyl]cyclopropanamine (PubChem CID 62260616) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is N-[[1-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)cyclopentyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)cyclopentyl]methyl]cyclopropanamine
PubChem CID62260616
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC NameN-[[1-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)cyclopentyl]methyl]cyclopropanamine
SMILESC1CCC(CNC2CC2)(CN2CC3CCC2C3)C1
InChIInChI=1S/C16H28N2/c1-2-8-16(7-1,11-17-14-4-5-14)12-18-10-13-3-6-15(18)9-13/h13-15,17H,1-12H2
InChIKeyZNTPDGKEPQKRBA-UHFFFAOYSA-N
XLogP2.78
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)cyclopentyl]methyl]propan-2-amine
CID 62260442
2-[1-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)cyclopropyl]acetonitrile
CID 65494869
[1-[[1-[(cyclopropylamino)methyl]cyclopentyl]methyl]piperidin-2-yl]methanol
CID 62259143
[1-[[1-[(cyclopropylamino)methyl]cycloheptyl]methyl]-3-methylpyrrolidin-2-yl]methanol
CID 102789487
1-[[1-[(cyclopropylamino)methyl]cyclopentyl]methyl]-4-methylpiperidin-3-ol
CID 102967067
N-[[1-[(4,4-dimethylazepan-1-yl)methyl]cyclohexyl]methyl]cyclopropanamine
CID 65282297
4-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)oxan-4-amine
CID 115295423
2-[1-[[1-[(cyclopropylamino)methyl]cyclohexyl]methyl]piperidin-3-yl]ethanol
CID 107228887
1-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-3-methylcyclohexan-1-amine
CID 64554255
N-[[4-[(2-methylpyrrolidin-1-yl)methyl]oxan-4-yl]methyl]cyclopropanamine
CID 62390400
N-[[1-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]cyclohexyl]methyl]cyclopropanamine
CID 83220975
8-[[4-[(cyclopropylamino)methyl]oxan-4-yl]methyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 63770155

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)cyclopentyl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)cyclopentyl]methyl]cyclopropanamine (CID 62260616) is N-[[1-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)cyclopentyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)cyclopentyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)cyclopentyl]methyl]cyclopropanamine is C1CCC(CNC2CC2)(CN2CC3CCC2C3)C1.
What is the InChIKey of N-[[1-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)cyclopentyl]methyl]cyclopropanamine?
The InChIKey is ZNTPDGKEPQKRBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-2-8-16(7-1,11-17-14-4-5-14)12-18-10-13-3-6-15(18)9-13/h13-15,17H,1-12H2.
What are the key properties of N-[[1-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)cyclopentyl]methyl]cyclopropanamine?
N-[[1-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)cyclopentyl]methyl]cyclopropanamine has a molecular weight of 248.41 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)cyclopentyl]methyl]cyclopropanamine is sourced from PubChem (CID 62260616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).