N-[(8-methylspiro[2.5]octan-2-yl)methyl]cyclopropanamine

C13H23N — CID 62712621

IUPACN-[(8-methylspiro[2.5]octan-2-yl)methyl]cyclopropanamine
SMILESCC1CCCCC12CC2CNC1CC1
InChIInChI=1S/C13H23N/c1-10-4-2-3-7-13(10)8-11(13)9-14-12-5-6-12/h10-12,14H,2-9H2,1H3
InChIKeyKATIRSNSARAEQJ-UHFFFAOYSA-N
MW193.33 g/mol
LogP2.95
Rot. Bonds3

About N-[(8-methylspiro[2.5]octan-2-yl)methyl]cyclopropanamine

N-[(8-methylspiro[2.5]octan-2-yl)methyl]cyclopropanamine (PubChem CID 62712621) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is N-[(8-methylspiro[2.5]octan-2-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(8-methylspiro[2.5]octan-2-yl)methyl]cyclopropanamine
PubChem CID62712621
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC NameN-[(8-methylspiro[2.5]octan-2-yl)methyl]cyclopropanamine
SMILESCC1CCCCC12CC2CNC1CC1
InChIInChI=1S/C13H23N/c1-10-4-2-3-7-13(10)8-11(13)9-14-12-5-6-12/h10-12,14H,2-9H2,1H3
InChIKeyKATIRSNSARAEQJ-UHFFFAOYSA-N
XLogP2.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(5,8-dimethylspiro[2.5]octan-2-yl)methyl]cyclopropanamine
CID 64755647
2-(bromomethyl)-8-methylspiro[2.5]octane
CID 81351055
N-(spiro[2.6]nonan-2-ylmethyl)cyclopropanamine
CID 62712980
N-[(2,2-difluorocyclohexyl)methyl]cyclopropanamine
CID 127002696
11-methylspiro[5.5]undecan-5-amine
CID 138665061
N-[(2-cyclohexyl-2-methylcyclopropyl)methyl]cyclopropanamine
CID 62713154
N-[(2,2-dimethylcyclopentyl)methyl]cycloheptanamine
CID 107178325
N-[(6,6-dimethylspiro[2.3]hexan-2-yl)methyl]cyclopropanamine
CID 130555268
N-[(8-methoxyspiro[2.5]octan-2-yl)methyl]propan-2-amine
CID 106874334
N-[(5,7,7-trimethylspiro[2.5]octan-2-yl)methyl]cyclopropanamine
CID 62713504
5,8-dimethylspiro[3.4]octane;propane
CID 90899958
N-[(2-cyclopentyl-4,4-dimethylcyclohexyl)methyl]cyclopropanamine
CID 81030507

Frequently Asked Questions

What is the IUPAC name of N-[(8-methylspiro[2.5]octan-2-yl)methyl]cyclopropanamine?
The IUPAC name of N-[(8-methylspiro[2.5]octan-2-yl)methyl]cyclopropanamine (CID 62712621) is N-[(8-methylspiro[2.5]octan-2-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(8-methylspiro[2.5]octan-2-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[(8-methylspiro[2.5]octan-2-yl)methyl]cyclopropanamine is CC1CCCCC12CC2CNC1CC1.
What is the InChIKey of N-[(8-methylspiro[2.5]octan-2-yl)methyl]cyclopropanamine?
The InChIKey is KATIRSNSARAEQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N/c1-10-4-2-3-7-13(10)8-11(13)9-14-12-5-6-12/h10-12,14H,2-9H2,1H3.
What are the key properties of N-[(8-methylspiro[2.5]octan-2-yl)methyl]cyclopropanamine?
N-[(8-methylspiro[2.5]octan-2-yl)methyl]cyclopropanamine has a molecular weight of 193.33 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(8-methylspiro[2.5]octan-2-yl)methyl]cyclopropanamine is sourced from PubChem (CID 62712621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).