N-[(2,2-dimethyl-6-propan-2-ylspiro[2.5]octan-1-yl)methyl]cyclopropanamine

C17H31N — CID 114229747

IUPACN-[(2,2-dimethyl-6-propan-2-ylspiro[2.5]octan-1-yl)methyl]cyclopropanamine
SMILESCC(C)C1CCC2(CC1)C(CNC1CC1)C2(C)C
InChIInChI=1S/C17H31N/c1-12(2)13-7-9-17(10-8-13)15(16(17,3)4)11-18-14-5-6-14/h12-15,18H,5-11H2,1-4H3
InChIKeyRBXZMKKTCWQRAS-UHFFFAOYSA-N
MW249.44 g/mol
LogP4.23
Rot. Bonds4

About N-[(2,2-dimethyl-6-propan-2-ylspiro[2.5]octan-1-yl)methyl]cyclopropanamine

N-[(2,2-dimethyl-6-propan-2-ylspiro[2.5]octan-1-yl)methyl]cyclopropanamine (PubChem CID 114229747) has the molecular formula C17H31N and a molecular weight of 249.44 g/mol. Its IUPAC name is N-[(2,2-dimethyl-6-propan-2-ylspiro[2.5]octan-1-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(2,2-dimethyl-6-propan-2-ylspiro[2.5]octan-1-yl)methyl]cyclopropanamine
PubChem CID114229747
Molecular FormulaC17H31N
Molecular Weight249.44 g/mol
Exact Mass249.25
IUPAC NameN-[(2,2-dimethyl-6-propan-2-ylspiro[2.5]octan-1-yl)methyl]cyclopropanamine
SMILESCC(C)C1CCC2(CC1)C(CNC1CC1)C2(C)C
InChIInChI=1S/C17H31N/c1-12(2)13-7-9-17(10-8-13)15(16(17,3)4)11-18-14-5-6-14/h12-15,18H,5-11H2,1-4H3
InChIKeyRBXZMKKTCWQRAS-UHFFFAOYSA-N
XLogP4.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.44
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[(2,2-dimethyl-6-propan-2-ylspiro[2.5]octan-1-yl)methyl]cyclopropanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2,2,5,7-tetramethyl-6-oxaspiro[2.5]octan-1-yl)methyl]cyclopropanamine
CID 114229758
3-propan-2-yl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]cyclohexan-1-amine
CID 107448605
4-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]cyclohexan-1-amine
CID 79352031
N-[(2,2,3,3-tetramethylcyclopropyl)methyl]cycloheptanamine
CID 66475934
4-ethyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]cyclohexan-1-amine
CID 79352504
N-[(2-methylcyclopropyl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 115652182
N-[(6-ethyl-2,2-dimethylspiro[2.5]octan-1-yl)methyl]-2-methylpropan-1-amine
CID 114229867
N-[(4-methylcyclohexyl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 63462599
N-[(1-cyclobutyloxy-4-propan-2-ylcyclohexyl)methyl]cyclopropanamine
CID 55066097
N-[(1-methylpiperidin-4-yl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 62704648
[1-[[(4-propan-2-ylcyclohexyl)amino]methyl]cyclopropyl]methanol
CID 79479823
N-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)methyl]cyclopropanamine
CID 115401436

Frequently Asked Questions

What is the IUPAC name of N-[(2,2-dimethyl-6-propan-2-ylspiro[2.5]octan-1-yl)methyl]cyclopropanamine?
The IUPAC name of N-[(2,2-dimethyl-6-propan-2-ylspiro[2.5]octan-1-yl)methyl]cyclopropanamine (CID 114229747) is N-[(2,2-dimethyl-6-propan-2-ylspiro[2.5]octan-1-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(2,2-dimethyl-6-propan-2-ylspiro[2.5]octan-1-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[(2,2-dimethyl-6-propan-2-ylspiro[2.5]octan-1-yl)methyl]cyclopropanamine is CC(C)C1CCC2(CC1)C(CNC1CC1)C2(C)C.
What is the InChIKey of N-[(2,2-dimethyl-6-propan-2-ylspiro[2.5]octan-1-yl)methyl]cyclopropanamine?
The InChIKey is RBXZMKKTCWQRAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N/c1-12(2)13-7-9-17(10-8-13)15(16(17,3)4)11-18-14-5-6-14/h12-15,18H,5-11H2,1-4H3.
What are the key properties of N-[(2,2-dimethyl-6-propan-2-ylspiro[2.5]octan-1-yl)methyl]cyclopropanamine?
N-[(2,2-dimethyl-6-propan-2-ylspiro[2.5]octan-1-yl)methyl]cyclopropanamine has a molecular weight of 249.44 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2-dimethyl-6-propan-2-ylspiro[2.5]octan-1-yl)methyl]cyclopropanamine is sourced from PubChem (CID 114229747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).