N-(3-methylbut-2-enyl)decan-1-amine

C15H31N — CID 107900086

IUPACN-(3-methylbut-2-enyl)decan-1-amine
SMILESCCCCCCCCCCNCC=C(C)C
InChIInChI=1S/C15H31N/c1-4-5-6-7-8-9-10-11-13-16-14-12-15(2)3/h12,16H,4-11,13-14H2,1-3H3
InChIKeyTXYBDWUDOIIMCM-UHFFFAOYSA-N
MW225.42 g/mol
LogP4.68
Rot. Bonds11

About N-(3-methylbut-2-enyl)decan-1-amine

N-(3-methylbut-2-enyl)decan-1-amine (PubChem CID 107900086) has the molecular formula C15H31N and a molecular weight of 225.42 g/mol. Its IUPAC name is N-(3-methylbut-2-enyl)decan-1-amine.

Molecular Properties

Compound NameN-(3-methylbut-2-enyl)decan-1-amine
PubChem CID107900086
Molecular FormulaC15H31N
Molecular Weight225.42 g/mol
Exact Mass225.25
IUPAC NameN-(3-methylbut-2-enyl)decan-1-amine
SMILESCCCCCCCCCCNCC=C(C)C
InChIInChI=1S/C15H31N/c1-4-5-6-7-8-9-10-11-13-16-14-12-15(2)3/h12,16H,4-11,13-14H2,1-3H3
InChIKeyTXYBDWUDOIIMCM-UHFFFAOYSA-N
XLogP4.68
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.42
LogP ≤ 54.68
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

6-(3-methylbut-2-enylamino)hexan-1-ol
CID 106547380
3-methyl-N-propylbut-2-en-1-amine
CID 55206819
5-iodo-N-(3-methylbut-2-enyl)pentan-1-amine
CID 107901319
N-prop-2-enyltridecan-1-amine
CID 22467882
2-(decylamino)acetaldehyde
CID 87184304
N'-(3-methylbut-2-enyl)ethane-1,2-diamine
CID 107899865
2-[5-(3-methylbut-2-enylamino)pentyl]guanidine
CID 142908035
2-(hexylamino)ethanethial
CID 87313709
N-hexyltridecan-1-amine
CID 87659278
octane;N-octylnonan-1-amine
CID 145152206
N-undecyltetradecan-1-amine
CID 166059375
N,N'-diheptyldecane-1,10-diamine
CID 3028161

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbut-2-enyl)decan-1-amine?
The IUPAC name of N-(3-methylbut-2-enyl)decan-1-amine (CID 107900086) is N-(3-methylbut-2-enyl)decan-1-amine.
What is the SMILES notation for N-(3-methylbut-2-enyl)decan-1-amine?
The canonical SMILES for N-(3-methylbut-2-enyl)decan-1-amine is CCCCCCCCCCNCC=C(C)C.
What is the InChIKey of N-(3-methylbut-2-enyl)decan-1-amine?
The InChIKey is TXYBDWUDOIIMCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N/c1-4-5-6-7-8-9-10-11-13-16-14-12-15(2)3/h12,16H,4-11,13-14H2,1-3H3.
What are the key properties of N-(3-methylbut-2-enyl)decan-1-amine?
N-(3-methylbut-2-enyl)decan-1-amine has a molecular weight of 225.42 g/mol, XLogP of 4.68, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbut-2-enyl)decan-1-amine is sourced from PubChem (CID 107900086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).