N-methylspiro[5.5]undecan-5-amine

C12H23N — CID 83906634

IUPACN-methylspiro[5.5]undecan-5-amine
SMILESCNC1CCCCC12CCCCC2
InChIInChI=1S/C12H23N/c1-13-11-7-3-6-10-12(11)8-4-2-5-9-12/h11,13H,2-10H2,1H3
InChIKeyULASJCHTMCXWGM-UHFFFAOYSA-N
MW181.32 g/mol
LogP3.10
Rot. Bonds1

About N-methylspiro[5.5]undecan-5-amine

N-methylspiro[5.5]undecan-5-amine (PubChem CID 83906634) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is N-methylspiro[5.5]undecan-5-amine.

Molecular Properties

Compound NameN-methylspiro[5.5]undecan-5-amine
PubChem CID83906634
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC NameN-methylspiro[5.5]undecan-5-amine
SMILESCNC1CCCCC12CCCCC2
InChIInChI=1S/C12H23N/c1-13-11-7-3-6-10-12(11)8-4-2-5-9-12/h11,13H,2-10H2,1H3
InChIKeyULASJCHTMCXWGM-UHFFFAOYSA-N
XLogP3.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-methylspiro[3.5]nonan-3-amine
CID 102951104
N,8-dimethyl-8-azaspiro[4.5]decan-4-amine
CID 170184588
cis-(1S,2S)-1-methyl-2-(methylamino)cyclohexan-1-ol
CID 138485251
1-methyl-2-(methylamino)cyclohexan-1-ol;dihydrochloride
CID 69200571
2-N,1-dimethylcyclohexane-1,2-diamine;hydrochloride
CID 172765796
N-spiro[4.4]nonan-4-ylhydroxylamine
CID 130623414
N-cyclopropylspiro[4.4]nonan-4-amine
CID 83906412
N-methyl-1-spiro[4.5]decan-10-ylmethanamine
CID 83906628
(4R)-N,6-dimethyl-6-azaspiro[2.6]nonan-4-amine
CID 155352601
N-methylcyclohexanamine
CID 7514
N-methylcyclotetradecanamine
CID 59468246
N-prop-2-enylspiro[4.5]decan-4-amine
CID 130646747

Frequently Asked Questions

What is the IUPAC name of N-methylspiro[5.5]undecan-5-amine?
The IUPAC name of N-methylspiro[5.5]undecan-5-amine (CID 83906634) is N-methylspiro[5.5]undecan-5-amine.
What is the SMILES notation for N-methylspiro[5.5]undecan-5-amine?
The canonical SMILES for N-methylspiro[5.5]undecan-5-amine is CNC1CCCCC12CCCCC2.
What is the InChIKey of N-methylspiro[5.5]undecan-5-amine?
The InChIKey is ULASJCHTMCXWGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-13-11-7-3-6-10-12(11)8-4-2-5-9-12/h11,13H,2-10H2,1H3.
What are the key properties of N-methylspiro[5.5]undecan-5-amine?
N-methylspiro[5.5]undecan-5-amine has a molecular weight of 181.32 g/mol, XLogP of 3.10, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylspiro[5.5]undecan-5-amine is sourced from PubChem (CID 83906634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).