N-(3,4-dimethylcyclohexyl)spiro[3.5]nonan-3-amine

C17H31N — CID 102951968

IUPACN-(3,4-dimethylcyclohexyl)spiro[3.5]nonan-3-amine
SMILESCC1CCC(NC2CCC23CCCCC3)CC1C
InChIInChI=1S/C17H31N/c1-13-6-7-15(12-14(13)2)18-16-8-11-17(16)9-4-3-5-10-17/h13-16,18H,3-12H2,1-2H3
InChIKeyQIIGERFIGWQXDZ-UHFFFAOYSA-N
MW249.44 g/mol
LogP4.51
Rot. Bonds2

About N-(3,4-dimethylcyclohexyl)spiro[3.5]nonan-3-amine

N-(3,4-dimethylcyclohexyl)spiro[3.5]nonan-3-amine (PubChem CID 102951968) has the molecular formula C17H31N and a molecular weight of 249.44 g/mol. Its IUPAC name is N-(3,4-dimethylcyclohexyl)spiro[3.5]nonan-3-amine.

Molecular Properties

Compound NameN-(3,4-dimethylcyclohexyl)spiro[3.5]nonan-3-amine
PubChem CID102951968
Molecular FormulaC17H31N
Molecular Weight249.44 g/mol
Exact Mass249.25
IUPAC NameN-(3,4-dimethylcyclohexyl)spiro[3.5]nonan-3-amine
SMILESCC1CCC(NC2CCC23CCCCC3)CC1C
InChIInChI=1S/C17H31N/c1-13-6-7-15(12-14(13)2)18-16-8-11-17(16)9-4-3-5-10-17/h13-16,18H,3-12H2,1-2H3
InChIKeyQIIGERFIGWQXDZ-UHFFFAOYSA-N
XLogP4.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.44
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(3,4-dimethylcyclohexyl)cyclooctanamine
CID 64733155
N-cyclopropylspiro[4.4]nonan-4-amine
CID 83906412
N-(4,4-dimethylcyclohexyl)-3,4-dimethylcyclohexan-1-amine
CID 64745242
N-methylspiro[3.5]nonan-3-amine
CID 102951104
N-(2-methylcyclopentyl)spiro[3.3]heptan-3-amine
CID 130618858
2-methyl-N-spiro[3.5]nonan-3-yloxolan-3-amine
CID 102952252
3,4-dimethyl-N-(2-methylcyclohexyl)cyclohexan-1-amine
CID 64731982
N-(3,4-dimethylcyclohexyl)-1-methylpiperidin-3-amine
CID 64745426
4-(spiro[4.5]decan-4-ylamino)cyclohexane-1-carboxylic acid
CID 122039034
trans-(1R,2R)-2-[(3,4-dimethylcyclohexyl)amino]cyclopentan-1-ol
CID 102733568
2-(spiro[3.5]nonan-3-ylamino)cycloheptan-1-ol
CID 102952299
N-(3,4-dimethylcyclohexyl)-4-propan-2-ylcycloheptan-1-amine
CID 65091389

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylcyclohexyl)spiro[3.5]nonan-3-amine?
The IUPAC name of N-(3,4-dimethylcyclohexyl)spiro[3.5]nonan-3-amine (CID 102951968) is N-(3,4-dimethylcyclohexyl)spiro[3.5]nonan-3-amine.
What is the SMILES notation for N-(3,4-dimethylcyclohexyl)spiro[3.5]nonan-3-amine?
The canonical SMILES for N-(3,4-dimethylcyclohexyl)spiro[3.5]nonan-3-amine is CC1CCC(NC2CCC23CCCCC3)CC1C.
What is the InChIKey of N-(3,4-dimethylcyclohexyl)spiro[3.5]nonan-3-amine?
The InChIKey is QIIGERFIGWQXDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N/c1-13-6-7-15(12-14(13)2)18-16-8-11-17(16)9-4-3-5-10-17/h13-16,18H,3-12H2,1-2H3.
What are the key properties of N-(3,4-dimethylcyclohexyl)spiro[3.5]nonan-3-amine?
N-(3,4-dimethylcyclohexyl)spiro[3.5]nonan-3-amine has a molecular weight of 249.44 g/mol, XLogP of 4.51, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylcyclohexyl)spiro[3.5]nonan-3-amine is sourced from PubChem (CID 102951968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).