N-(4-methylpent-3-en-2-yl)hexan-1-amine

C12H25N — CID 175452706

IUPACN-(4-methylpent-3-en-2-yl)hexan-1-amine
SMILESCCCCCCNC(C)C=C(C)C
InChIInChI=1S/C12H25N/c1-5-6-7-8-9-13-12(4)10-11(2)3/h10,12-13H,5-9H2,1-4H3
InChIKeyBLLMHPACGKGZMX-UHFFFAOYSA-N
MW183.34 g/mol
LogP3.51
Rot. Bonds7

About N-(4-methylpent-3-en-2-yl)hexan-1-amine

N-(4-methylpent-3-en-2-yl)hexan-1-amine (PubChem CID 175452706) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is N-(4-methylpent-3-en-2-yl)hexan-1-amine.

Molecular Properties

Compound NameN-(4-methylpent-3-en-2-yl)hexan-1-amine
PubChem CID175452706
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC NameN-(4-methylpent-3-en-2-yl)hexan-1-amine
SMILESCCCCCCNC(C)C=C(C)C
InChIInChI=1S/C12H25N/c1-5-6-7-8-9-13-12(4)10-11(2)3/h10,12-13H,5-9H2,1-4H3
InChIKeyBLLMHPACGKGZMX-UHFFFAOYSA-N
XLogP3.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 53.51
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

N-propan-2-ylicosan-1-amine
CID 87246132
2-(tetradecylamino)propane-1,1-diol
CID 174762987
N-propan-2-ylnonan-1-amine;hydrochloride
CID 172836169
(hexadecylamino)methanediol
CID 139772673
1-N-hexadecyl-1-N',1-N'-dimethylethane-1,1-diamine
CID 174359421
1-N',1-N'-dimethyl-1-N-octadecylethane-1,1-diamine
CID 87986507
2,4-dimethyldec-2-ene
CID 522542
N-(3-ethylpentan-2-yl)heptan-1-amine
CID 63843308
(2S)-2-(hexylamino)propan-1-ol
CID 88509072
1-N',1-N'-dimethyl-1-N-pentylethane-1,1-diamine;icosane
CID 174394237
(2S,3R)-2-(dodecylamino)octadecan-3-ol
CID 139552165
molecular hydrogen;N-propan-2-ylnonan-1-amine
CID 166461486

Frequently Asked Questions

What is the IUPAC name of N-(4-methylpent-3-en-2-yl)hexan-1-amine?
The IUPAC name of N-(4-methylpent-3-en-2-yl)hexan-1-amine (CID 175452706) is N-(4-methylpent-3-en-2-yl)hexan-1-amine.
What is the SMILES notation for N-(4-methylpent-3-en-2-yl)hexan-1-amine?
The canonical SMILES for N-(4-methylpent-3-en-2-yl)hexan-1-amine is CCCCCCNC(C)C=C(C)C.
What is the InChIKey of N-(4-methylpent-3-en-2-yl)hexan-1-amine?
The InChIKey is BLLMHPACGKGZMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N/c1-5-6-7-8-9-13-12(4)10-11(2)3/h10,12-13H,5-9H2,1-4H3.
What are the key properties of N-(4-methylpent-3-en-2-yl)hexan-1-amine?
N-(4-methylpent-3-en-2-yl)hexan-1-amine has a molecular weight of 183.34 g/mol, XLogP of 3.51, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylpent-3-en-2-yl)hexan-1-amine is sourced from PubChem (CID 175452706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).