N-[(1-aminocyclohexyl)methyl]spiro[3.4]octan-3-amine

C15H28N2 — CID 128875139

IUPACN-[(1-aminocyclohexyl)methyl]spiro[3.4]octan-3-amine
SMILESNC1(CNC2CCC23CCCC3)CCCCC1
InChIInChI=1S/C15H28N2/c16-15(9-2-1-3-10-15)12-17-13-6-11-14(13)7-4-5-8-14/h13,17H,1-12,16H2
InChIKeyDMOJAHXXGWRPSV-UHFFFAOYSA-N
MW236.40 g/mol
LogP2.96
Rot. Bonds3

About N-[(1-aminocyclohexyl)methyl]spiro[3.4]octan-3-amine

N-[(1-aminocyclohexyl)methyl]spiro[3.4]octan-3-amine (PubChem CID 128875139) has the molecular formula C15H28N2 and a molecular weight of 236.40 g/mol. Its IUPAC name is N-[(1-aminocyclohexyl)methyl]spiro[3.4]octan-3-amine.

Molecular Properties

Compound NameN-[(1-aminocyclohexyl)methyl]spiro[3.4]octan-3-amine
PubChem CID128875139
Molecular FormulaC15H28N2
Molecular Weight236.40 g/mol
Exact Mass236.23
IUPAC NameN-[(1-aminocyclohexyl)methyl]spiro[3.4]octan-3-amine
SMILESNC1(CNC2CCC23CCCC3)CCCCC1
InChIInChI=1S/C15H28N2/c16-15(9-2-1-3-10-15)12-17-13-6-11-14(13)7-4-5-8-14/h13,17H,1-12,16H2
InChIKeyDMOJAHXXGWRPSV-UHFFFAOYSA-N
XLogP2.96
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-Azaspiro[3.5]nonan-7-amine
CID 165710659
1-Pyrrolidin-2-ylcyclohexan-1-amine
CID 21276972
8-Azaspiro[4.5]decan-10-amine
CID 22104102
N'-(2-methyl-2-propylcyclobutyl)ethane-1,2-diamine
CID 164025859
1-[(cyclopentylamino)methyl]-N,N-dimethylcyclohexan-1-amine
CID 28621938
1-[(Cyclopentylamino)methyl]cyclohexan-1-amine
CID 61149766
N-[(1-aminocyclopentyl)methyl]cyclohexanamine
CID 61150610
1-[(cyclobutylamino)methyl]-N,N-dimethylcyclohexan-1-amine
CID 61779475
N-cyclopentyl-N'-(1-methylcyclohexyl)ethane-1,2-diamine
CID 61870188
N-[(1-aminocyclopentyl)methyl]-1-methylcyclohexan-1-amine
CID 61873267
1-[(Cyclobutylamino)methyl]cyclohexan-1-amine
CID 62414218
1-[(Cyclobutylamino)methyl]cyclopentan-1-amine
CID 62415587

Frequently Asked Questions

What is the IUPAC name of N-[(1-aminocyclohexyl)methyl]spiro[3.4]octan-3-amine?
The IUPAC name of N-[(1-aminocyclohexyl)methyl]spiro[3.4]octan-3-amine (CID 128875139) is N-[(1-aminocyclohexyl)methyl]spiro[3.4]octan-3-amine.
What is the SMILES notation for N-[(1-aminocyclohexyl)methyl]spiro[3.4]octan-3-amine?
The canonical SMILES for N-[(1-aminocyclohexyl)methyl]spiro[3.4]octan-3-amine is NC1(CNC2CCC23CCCC3)CCCCC1.
What is the InChIKey of N-[(1-aminocyclohexyl)methyl]spiro[3.4]octan-3-amine?
The InChIKey is DMOJAHXXGWRPSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2/c16-15(9-2-1-3-10-15)12-17-13-6-11-14(13)7-4-5-8-14/h13,17H,1-12,16H2.
What are the key properties of N-[(1-aminocyclohexyl)methyl]spiro[3.4]octan-3-amine?
N-[(1-aminocyclohexyl)methyl]spiro[3.4]octan-3-amine has a molecular weight of 236.40 g/mol, XLogP of 2.96, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-aminocyclohexyl)methyl]spiro[3.4]octan-3-amine is sourced from PubChem (CID 128875139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).