N-(3-methylbut-3-enyl)hexan-1-amine

C11H23N — CID 114472319

IUPACN-(3-methylbut-3-enyl)hexan-1-amine
SMILESC=C(C)CCNCCCCCC
InChIInChI=1S/C11H23N/c1-4-5-6-7-9-12-10-8-11(2)3/h12H,2,4-10H2,1,3H3
InChIKeyHUVOCYCGRZLGFI-UHFFFAOYSA-N
MW169.31 g/mol
LogP3.12
Rot. Bonds8

About N-(3-methylbut-3-enyl)hexan-1-amine

N-(3-methylbut-3-enyl)hexan-1-amine (PubChem CID 114472319) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is N-(3-methylbut-3-enyl)hexan-1-amine.

Molecular Properties

Compound NameN-(3-methylbut-3-enyl)hexan-1-amine
PubChem CID114472319
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC NameN-(3-methylbut-3-enyl)hexan-1-amine
SMILESC=C(C)CCNCCCCCC
InChIInChI=1S/C11H23N/c1-4-5-6-7-9-12-10-8-11(2)3/h12H,2,4-10H2,1,3H3
InChIKeyHUVOCYCGRZLGFI-UHFFFAOYSA-N
XLogP3.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.31
LogP ≤ 53.12
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

8-methyl-N-propylnon-8-en-1-amine
CID 138599525
8-methylidene-N-octyloctadecan-1-amine
CID 153397444
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
N,N'-diheptylhexane-1,6-diamine
CID 3028571
2-methyltetradec-1-ene
CID 521375
N-docosyldocosan-1-amine;hydrochloride
CID 173181498
N,N'-di(nonyl)ethane-1,2-diamine
CID 151189669
N-butyltetradecan-1-amine
CID 3548872
methane;N-octyloctan-1-amine
CID 87294693

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbut-3-enyl)hexan-1-amine?
The IUPAC name of N-(3-methylbut-3-enyl)hexan-1-amine (CID 114472319) is N-(3-methylbut-3-enyl)hexan-1-amine.
What is the SMILES notation for N-(3-methylbut-3-enyl)hexan-1-amine?
The canonical SMILES for N-(3-methylbut-3-enyl)hexan-1-amine is C=C(C)CCNCCCCCC.
What is the InChIKey of N-(3-methylbut-3-enyl)hexan-1-amine?
The InChIKey is HUVOCYCGRZLGFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N/c1-4-5-6-7-9-12-10-8-11(2)3/h12H,2,4-10H2,1,3H3.
What are the key properties of N-(3-methylbut-3-enyl)hexan-1-amine?
N-(3-methylbut-3-enyl)hexan-1-amine has a molecular weight of 169.31 g/mol, XLogP of 3.12, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbut-3-enyl)hexan-1-amine is sourced from PubChem (CID 114472319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).