2-methyl-3-methylidene-N-propan-2-yldecan-4-amine

C15H31N — CID 134583641

IUPAC2-methyl-3-methylidene-N-propan-2-yldecan-4-amine
SMILESC=C(C(C)C)C(CCCCCC)NC(C)C
InChIInChI=1S/C15H31N/c1-7-8-9-10-11-15(16-13(4)5)14(6)12(2)3/h12-13,15-16H,6-11H2,1-5H3
InChIKeyCGZJBIAPFWQGCT-UHFFFAOYSA-N
MW225.42 g/mol
LogP4.54
Rot. Bonds9

About 2-methyl-3-methylidene-N-propan-2-yldecan-4-amine

2-methyl-3-methylidene-N-propan-2-yldecan-4-amine (PubChem CID 134583641) has the molecular formula C15H31N and a molecular weight of 225.42 g/mol. Its IUPAC name is 2-methyl-3-methylidene-N-propan-2-yldecan-4-amine.

Molecular Properties

Compound Name2-methyl-3-methylidene-N-propan-2-yldecan-4-amine
PubChem CID134583641
Molecular FormulaC15H31N
Molecular Weight225.42 g/mol
Exact Mass225.25
IUPAC Name2-methyl-3-methylidene-N-propan-2-yldecan-4-amine
SMILESC=C(C(C)C)C(CCCCCC)NC(C)C
InChIInChI=1S/C15H31N/c1-7-8-9-10-11-15(16-13(4)5)14(6)12(2)3/h12-13,15-16H,6-11H2,1-5H3
InChIKeyCGZJBIAPFWQGCT-UHFFFAOYSA-N
XLogP4.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.42
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-propan-2-ylhept-1-en-3-amine
CID 79411658
2-(propan-2-ylamino)heptanoic acid
CID 43754297
4-methyl-3-methylidenedecane
CID 123290966
2,3-dimethyldodec-1-ene;ethane;ethene
CID 144958915
N-propan-2-ylheptadecan-5-amine
CID 79412665
N-propan-2-yltridecan-5-amine
CID 79413155
N-propan-2-yldodecan-5-amine
CID 79412905
2,4-dimethyldecan-3-one
CID 79298815
N-tetradecan-2-yltetradecan-2-amine
CID 20841578
decane;ethene;hexane;2-methylheptane;2-methylprop-1-ene;nonane
CID 172567112
3-methylundecan-2-one
CID 12634600
2,3,4-trimethylhexadec-2-ene
CID 90705633

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-methylidene-N-propan-2-yldecan-4-amine?
The IUPAC name of 2-methyl-3-methylidene-N-propan-2-yldecan-4-amine (CID 134583641) is 2-methyl-3-methylidene-N-propan-2-yldecan-4-amine.
What is the SMILES notation for 2-methyl-3-methylidene-N-propan-2-yldecan-4-amine?
The canonical SMILES for 2-methyl-3-methylidene-N-propan-2-yldecan-4-amine is C=C(C(C)C)C(CCCCCC)NC(C)C.
What is the InChIKey of 2-methyl-3-methylidene-N-propan-2-yldecan-4-amine?
The InChIKey is CGZJBIAPFWQGCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N/c1-7-8-9-10-11-15(16-13(4)5)14(6)12(2)3/h12-13,15-16H,6-11H2,1-5H3.
What are the key properties of 2-methyl-3-methylidene-N-propan-2-yldecan-4-amine?
2-methyl-3-methylidene-N-propan-2-yldecan-4-amine has a molecular weight of 225.42 g/mol, XLogP of 4.54, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-methylidene-N-propan-2-yldecan-4-amine is sourced from PubChem (CID 134583641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).