N-[(6,6-dimethylspiro[2.3]hexan-2-yl)methyl]cyclopropanamine

C12H21N — CID 130555268

IUPACN-[(6,6-dimethylspiro[2.3]hexan-2-yl)methyl]cyclopropanamine
SMILESCC1(C)CCC12CC2CNC1CC1
InChIInChI=1S/C12H21N/c1-11(2)5-6-12(11)7-9(12)8-13-10-3-4-10/h9-10,13H,3-8H2,1-2H3
InChIKeyFZNXQMMWGYPZFU-UHFFFAOYSA-N
MW179.31 g/mol
LogP2.56
Rot. Bonds3

About N-[(6,6-dimethylspiro[2.3]hexan-2-yl)methyl]cyclopropanamine

N-[(6,6-dimethylspiro[2.3]hexan-2-yl)methyl]cyclopropanamine (PubChem CID 130555268) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is N-[(6,6-dimethylspiro[2.3]hexan-2-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(6,6-dimethylspiro[2.3]hexan-2-yl)methyl]cyclopropanamine
PubChem CID130555268
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC NameN-[(6,6-dimethylspiro[2.3]hexan-2-yl)methyl]cyclopropanamine
SMILESCC1(C)CCC12CC2CNC1CC1
InChIInChI=1S/C12H21N/c1-11(2)5-6-12(11)7-9(12)8-13-10-3-4-10/h9-10,13H,3-8H2,1-2H3
InChIKeyFZNXQMMWGYPZFU-UHFFFAOYSA-N
XLogP2.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2-heptyl-2-methylcyclopropyl)methyl]cyclopropanamine
CID 63515265
N-[(2-cyclohexyl-2-methylcyclopropyl)methyl]cyclopropanamine
CID 62713154
N-(spiro[2.6]nonan-2-ylmethyl)cyclopropanamine
CID 62712980
N-[(8-methylspiro[2.5]octan-2-yl)methyl]cyclopropanamine
CID 62712621
N-[(2,2-dimethylcyclopentyl)methyl]cycloheptanamine
CID 107178325
N-[(5,7,7-trimethylspiro[2.5]octan-2-yl)methyl]cyclopropanamine
CID 62713504
N-[(2,2-difluorocyclopropyl)methyl]-1-methylpiperidin-4-amine
CID 177148476
N-[(2-ethyl-4,4-dimethylcyclohexyl)methyl]cyclopropanamine
CID 81030735
N-[(5,8-dimethylspiro[2.5]octan-2-yl)methyl]cyclopropanamine
CID 64755647
N-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)methyl]cyclopropanamine
CID 115401436
N-[[2-(4-fluorophenyl)-2-methylcyclopropyl]methyl]cyclopropanamine
CID 62712800
N-[(2,2-difluorocyclohexyl)methyl]cyclopropanamine
CID 127002696

Frequently Asked Questions

What is the IUPAC name of N-[(6,6-dimethylspiro[2.3]hexan-2-yl)methyl]cyclopropanamine?
The IUPAC name of N-[(6,6-dimethylspiro[2.3]hexan-2-yl)methyl]cyclopropanamine (CID 130555268) is N-[(6,6-dimethylspiro[2.3]hexan-2-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(6,6-dimethylspiro[2.3]hexan-2-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[(6,6-dimethylspiro[2.3]hexan-2-yl)methyl]cyclopropanamine is CC1(C)CCC12CC2CNC1CC1.
What is the InChIKey of N-[(6,6-dimethylspiro[2.3]hexan-2-yl)methyl]cyclopropanamine?
The InChIKey is FZNXQMMWGYPZFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N/c1-11(2)5-6-12(11)7-9(12)8-13-10-3-4-10/h9-10,13H,3-8H2,1-2H3.
What are the key properties of N-[(6,6-dimethylspiro[2.3]hexan-2-yl)methyl]cyclopropanamine?
N-[(6,6-dimethylspiro[2.3]hexan-2-yl)methyl]cyclopropanamine has a molecular weight of 179.31 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6,6-dimethylspiro[2.3]hexan-2-yl)methyl]cyclopropanamine is sourced from PubChem (CID 130555268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).