N-(3-methylbut-1-en-2-yl)hexan-1-amine

C11H23N — CID 129308708

IUPACN-(3-methylbut-1-en-2-yl)hexan-1-amine
SMILESC=C(NCCCCCC)C(C)C
InChIInChI=1S/C11H23N/c1-5-6-7-8-9-12-11(4)10(2)3/h10,12H,4-9H2,1-3H3
InChIKeyBIUUCEMTAAGVBL-UHFFFAOYSA-N
MW169.31 g/mol
LogP3.33
Rot. Bonds7

About N-(3-methylbut-1-en-2-yl)hexan-1-amine

N-(3-methylbut-1-en-2-yl)hexan-1-amine (PubChem CID 129308708) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is N-(3-methylbut-1-en-2-yl)hexan-1-amine.

Molecular Properties

Compound NameN-(3-methylbut-1-en-2-yl)hexan-1-amine
PubChem CID129308708
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC NameN-(3-methylbut-1-en-2-yl)hexan-1-amine
SMILESC=C(NCCCCCC)C(C)C
InChIInChI=1S/C11H23N/c1-5-6-7-8-9-12-11(4)10(2)3/h10,12H,4-9H2,1-3H3
InChIKeyBIUUCEMTAAGVBL-UHFFFAOYSA-N
XLogP3.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.31
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethane;6-methoxy-N-(3-methylbut-1-en-2-yl)hexan-1-amine
CID 168888487
N-hexyloct-1-en-2-amine
CID 169110016
N-hept-1-en-2-yl-6-methylheptan-1-amine
CID 155148528
N-but-1-en-2-ylpentan-1-amine;ethane
CID 177233508
N-icosyl-2-methylprop-2-enamide
CID 22336363
3-cyano-2-methyl-N-octylbut-3-enamide
CID 23452231
N,N'-diheptyloxamide
CID 3417538
1-hexyl-3-propan-2-ylurea
CID 23264656
2-(dimethylamino)-N-octadecylpropanamide
CID 161206779
N-(4,4-dimethylpent-1-en-2-yl)heptan-1-amine
CID 134483816
1-decyl-3-propan-2-ylthiourea
CID 17268723
2-methyl-N-nonyldecanamide
CID 141429494

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbut-1-en-2-yl)hexan-1-amine?
The IUPAC name of N-(3-methylbut-1-en-2-yl)hexan-1-amine (CID 129308708) is N-(3-methylbut-1-en-2-yl)hexan-1-amine.
What is the SMILES notation for N-(3-methylbut-1-en-2-yl)hexan-1-amine?
The canonical SMILES for N-(3-methylbut-1-en-2-yl)hexan-1-amine is C=C(NCCCCCC)C(C)C.
What is the InChIKey of N-(3-methylbut-1-en-2-yl)hexan-1-amine?
The InChIKey is BIUUCEMTAAGVBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N/c1-5-6-7-8-9-12-11(4)10(2)3/h10,12H,4-9H2,1-3H3.
What are the key properties of N-(3-methylbut-1-en-2-yl)hexan-1-amine?
N-(3-methylbut-1-en-2-yl)hexan-1-amine has a molecular weight of 169.31 g/mol, XLogP of 3.33, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbut-1-en-2-yl)hexan-1-amine is sourced from PubChem (CID 129308708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).