N-methyl-4-methylideneheptan-3-amine

C9H19N — CID 166854127

IUPACN-methyl-4-methylideneheptan-3-amine
SMILESC=C(CCC)C(CC)NC
InChIInChI=1S/C9H19N/c1-5-7-8(3)9(6-2)10-4/h9-10H,3,5-7H2,1-2,4H3
InChIKeyQRALUZBYGPLFED-UHFFFAOYSA-N
MW141.26 g/mol
LogP2.34
Rot. Bonds5

About N-methyl-4-methylideneheptan-3-amine

N-methyl-4-methylideneheptan-3-amine (PubChem CID 166854127) has the molecular formula C9H19N and a molecular weight of 141.26 g/mol. Its IUPAC name is N-methyl-4-methylideneheptan-3-amine.

Molecular Properties

Compound NameN-methyl-4-methylideneheptan-3-amine
PubChem CID166854127
Molecular FormulaC9H19N
Molecular Weight141.26 g/mol
Exact Mass141.15
IUPAC NameN-methyl-4-methylideneheptan-3-amine
SMILESC=C(CCC)C(CC)NC
InChIInChI=1S/C9H19N/c1-5-7-8(3)9(6-2)10-4/h9-10H,3,5-7H2,1-2,4H3
InChIKeyQRALUZBYGPLFED-UHFFFAOYSA-N
XLogP2.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.26
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-tert-butyl-4-methylideneheptan-3-amine
CID 166838198
N-methylmethanamine;pent-1-en-2-ol
CID 143709294
1-iodo-2-methylidenepentan-1-ol
CID 90371441
2,3-dimethyl-4-methylideneheptane
CID 123725003
ethene;(E)-4-ethenyl-N-methylhex-4-en-3-amine
CID 142152607
(2S)-2-(methylamino)butanoyl iodide
CID 163605263
ethane;2-(methylamino)butanoic acid
CID 91558033
2,3,4-trimethyl-5-methylideneoct-1-ene
CID 91393907
4-chloro-5-methylideneoctane
CID 56986746
2-methyl-4-methylidenehept-1-ene
CID 58948030
N,2-dimethyloct-1-en-3-amine;ethane
CID 143152284
2-iodo-N,7-dimethyl-6-methylidenenonan-3-amine
CID 129059438

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-methylideneheptan-3-amine?
The IUPAC name of N-methyl-4-methylideneheptan-3-amine (CID 166854127) is N-methyl-4-methylideneheptan-3-amine.
What is the SMILES notation for N-methyl-4-methylideneheptan-3-amine?
The canonical SMILES for N-methyl-4-methylideneheptan-3-amine is C=C(CCC)C(CC)NC.
What is the InChIKey of N-methyl-4-methylideneheptan-3-amine?
The InChIKey is QRALUZBYGPLFED-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N/c1-5-7-8(3)9(6-2)10-4/h9-10H,3,5-7H2,1-2,4H3.
What are the key properties of N-methyl-4-methylideneheptan-3-amine?
N-methyl-4-methylideneheptan-3-amine has a molecular weight of 141.26 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-methylideneheptan-3-amine is sourced from PubChem (CID 166854127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).