N-(2-methylpropyl)spiro[3.4]octan-3-amine

C12H23N — CID 131207014

IUPACN-(2-methylpropyl)spiro[3.4]octan-3-amine
SMILESCC(C)CNC1CCC12CCCC2
InChIInChI=1S/C12H23N/c1-10(2)9-13-11-5-8-12(11)6-3-4-7-12/h10-11,13H,3-9H2,1-2H3
InChIKeyCCONANHPHHWSLU-UHFFFAOYSA-N
MW181.32 g/mol
LogP2.95
Rot. Bonds3

About N-(2-methylpropyl)spiro[3.4]octan-3-amine

N-(2-methylpropyl)spiro[3.4]octan-3-amine (PubChem CID 131207014) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is N-(2-methylpropyl)spiro[3.4]octan-3-amine.

Molecular Properties

Compound NameN-(2-methylpropyl)spiro[3.4]octan-3-amine
PubChem CID131207014
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC NameN-(2-methylpropyl)spiro[3.4]octan-3-amine
SMILESCC(C)CNC1CCC12CCCC2
InChIInChI=1S/C12H23N/c1-10(2)9-13-11-5-8-12(11)6-3-4-7-12/h10-11,13H,3-9H2,1-2H3
InChIKeyCCONANHPHHWSLU-UHFFFAOYSA-N
XLogP2.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-1-N-spiro[3.4]octan-3-ylpropane-1,2-diamine
CID 164658810
3-methyl-1-(spiro[3.5]nonan-3-ylamino)butan-2-ol
CID 102952410
1-(spiro[3.5]nonan-3-ylamino)pentan-2-ol
CID 102952417
1-methoxy-3-(spiro[3.5]nonan-3-ylamino)propan-2-ol
CID 102951950
4-(spiro[3.5]nonan-3-ylamino)butan-2-ol
CID 102951974
N'-methyl-N'-propan-2-yl-N-spiro[3.5]nonan-3-ylethane-1,2-diamine
CID 102951849
N-(3-methylsulfanylbutyl)spiro[3.5]nonan-3-amine
CID 102952412
(2S)-2-(spiro[3.4]octan-3-ylamino)propan-1-ol
CID 131107125
N-(1-cyclopropylethyl)spiro[3.4]octan-3-amine
CID 130611164
N-(2-fluoroethyl)spiro[3.5]nonan-3-amine
CID 130503965
2,2-difluoro-N-(2-methylpropyl)cyclopentan-1-amine
CID 130736613
N-methylspiro[3.5]nonan-3-amine
CID 102951104

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)spiro[3.4]octan-3-amine?
The IUPAC name of N-(2-methylpropyl)spiro[3.4]octan-3-amine (CID 131207014) is N-(2-methylpropyl)spiro[3.4]octan-3-amine.
What is the SMILES notation for N-(2-methylpropyl)spiro[3.4]octan-3-amine?
The canonical SMILES for N-(2-methylpropyl)spiro[3.4]octan-3-amine is CC(C)CNC1CCC12CCCC2.
What is the InChIKey of N-(2-methylpropyl)spiro[3.4]octan-3-amine?
The InChIKey is CCONANHPHHWSLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-10(2)9-13-11-5-8-12(11)6-3-4-7-12/h10-11,13H,3-9H2,1-2H3.
What are the key properties of N-(2-methylpropyl)spiro[3.4]octan-3-amine?
N-(2-methylpropyl)spiro[3.4]octan-3-amine has a molecular weight of 181.32 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-(2-methylpropyl)spiro[3.4]octan-3-amine is sourced from PubChem (CID 131207014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).