N-methyl-1-spiro[4.5]decan-8-ylpropan-1-amine

C14H27N — CID 114820982

IUPACN-methyl-1-spiro[4.5]decan-8-ylpropan-1-amine
SMILESCCC(NC)C1CCC2(CCCC2)CC1
InChIInChI=1S/C14H27N/c1-3-13(15-2)12-6-10-14(11-7-12)8-4-5-9-14/h12-13,15H,3-11H2,1-2H3
InChIKeyDJPBUHKZZZJCNK-UHFFFAOYSA-N
MW209.38 g/mol
LogP3.73
Rot. Bonds3

About N-methyl-1-spiro[4.5]decan-8-ylpropan-1-amine

N-methyl-1-spiro[4.5]decan-8-ylpropan-1-amine (PubChem CID 114820982) has the molecular formula C14H27N and a molecular weight of 209.38 g/mol. Its IUPAC name is N-methyl-1-spiro[4.5]decan-8-ylpropan-1-amine.

Molecular Properties

Compound NameN-methyl-1-spiro[4.5]decan-8-ylpropan-1-amine
PubChem CID114820982
Molecular FormulaC14H27N
Molecular Weight209.38 g/mol
Exact Mass209.21
IUPAC NameN-methyl-1-spiro[4.5]decan-8-ylpropan-1-amine
SMILESCCC(NC)C1CCC2(CCCC2)CC1
InChIInChI=1S/C14H27N/c1-3-13(15-2)12-6-10-14(11-7-12)8-4-5-9-14/h12-13,15H,3-11H2,1-2H3
InChIKeyDJPBUHKZZZJCNK-UHFFFAOYSA-N
XLogP3.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.38
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-spiro[4.5]decan-8-ylpropan-1-amine?
The IUPAC name of N-methyl-1-spiro[4.5]decan-8-ylpropan-1-amine (CID 114820982) is N-methyl-1-spiro[4.5]decan-8-ylpropan-1-amine.
What is the SMILES notation for N-methyl-1-spiro[4.5]decan-8-ylpropan-1-amine?
The canonical SMILES for N-methyl-1-spiro[4.5]decan-8-ylpropan-1-amine is CCC(NC)C1CCC2(CCCC2)CC1.
What is the InChIKey of N-methyl-1-spiro[4.5]decan-8-ylpropan-1-amine?
The InChIKey is DJPBUHKZZZJCNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N/c1-3-13(15-2)12-6-10-14(11-7-12)8-4-5-9-14/h12-13,15H,3-11H2,1-2H3.
What are the key properties of N-methyl-1-spiro[4.5]decan-8-ylpropan-1-amine?
N-methyl-1-spiro[4.5]decan-8-ylpropan-1-amine has a molecular weight of 209.38 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-spiro[4.5]decan-8-ylpropan-1-amine is sourced from PubChem (CID 114820982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).