N,2,3-trimethyl-5-methylideneheptan-1-amine

C11H23N — CID 81016533

IUPACN,2,3-trimethyl-5-methylideneheptan-1-amine
SMILESCCC(=C)CC(C)C(C)CNC
InChIInChI=1S/C11H23N/c1-6-9(2)7-10(3)11(4)8-12-5/h10-12H,2,6-8H2,1,3-5H3
InChIKeyKMNMXZMTICDCBD-UHFFFAOYSA-N
MW169.31 g/mol
LogP3.50
Rot. Bonds6

About N,2,3-trimethyl-5-methylideneheptan-1-amine

N,2,3-trimethyl-5-methylideneheptan-1-amine (PubChem CID 81016533) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is N,2,3-trimethyl-5-methylideneheptan-1-amine.

Molecular Properties

Compound NameN,2,3-trimethyl-5-methylideneheptan-1-amine
PubChem CID81016533
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC NameN,2,3-trimethyl-5-methylideneheptan-1-amine
SMILESCCC(=C)CC(C)C(C)CNC
InChIInChI=1S/C11H23N/c1-6-9(2)7-10(3)11(4)8-12-5/h10-12H,2,6-8H2,1,3-5H3
InChIKeyKMNMXZMTICDCBD-UHFFFAOYSA-N
XLogP3.50
TPSA12.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity129

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.31
LogP ≤ 53.50
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

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CID 72200507
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N-methylcitronellylamine
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3-[(1R)-4-methylcyclohex-3-en-1-yl]-N-propylbutan-1-amine
CID 24850676
1-(2,6-dimethylcyclohex-2-en-1-yl)-N-methylmethanamine
CID 130645649
1-(2,4-dimethylcyclohex-3-en-1-yl)-N-methylmethanamine
CID 177798578
3,7-Dimethyloct-7-en-1-amine
CID 53497564
3,3-difluoro-N,7-dimethyl-6-methylideneoctan-1-amine
CID 134570911
3-fluoro-N,2,3,4-tetramethylpent-4-en-1-amine
CID 163835903
CID 173717411
CID 173717411
(3S,4R)-3-ethenyl-2-fluoro-N,4,5-trimethylhexan-1-amine
CID 174091403
(3R)-3,7-dimethyl-6-methylideneoctan-1-amine
CID 90715518

Frequently Asked Questions

What is the IUPAC name of N,2,3-trimethyl-5-methylideneheptan-1-amine?
The IUPAC name of N,2,3-trimethyl-5-methylideneheptan-1-amine (CID 81016533) is N,2,3-trimethyl-5-methylideneheptan-1-amine.
What is the SMILES notation for N,2,3-trimethyl-5-methylideneheptan-1-amine?
The canonical SMILES for N,2,3-trimethyl-5-methylideneheptan-1-amine is CCC(=C)CC(C)C(C)CNC.
What is the InChIKey of N,2,3-trimethyl-5-methylideneheptan-1-amine?
The InChIKey is KMNMXZMTICDCBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N/c1-6-9(2)7-10(3)11(4)8-12-5/h10-12H,2,6-8H2,1,3-5H3.
What are the key properties of N,2,3-trimethyl-5-methylideneheptan-1-amine?
N,2,3-trimethyl-5-methylideneheptan-1-amine has a molecular weight of 169.31 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,3-trimethyl-5-methylideneheptan-1-amine is sourced from PubChem (CID 81016533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).