3-methyl-N-pentylpent-4-en-2-amine

C11H23N — CID 154998985

IUPAC3-methyl-N-pentylpent-4-en-2-amine
SMILESC=CC(C)C(C)NCCCCC
InChIInChI=1S/C11H23N/c1-5-7-8-9-12-11(4)10(3)6-2/h6,10-12H,2,5,7-9H2,1,3-4H3
InChIKeyWFBVAFGTIFQUBQ-UHFFFAOYSA-N
MW169.31 g/mol
LogP2.98
Rot. Bonds7

About 3-methyl-N-pentylpent-4-en-2-amine

3-methyl-N-pentylpent-4-en-2-amine (PubChem CID 154998985) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is 3-methyl-N-pentylpent-4-en-2-amine.

Molecular Properties

Compound Name3-methyl-N-pentylpent-4-en-2-amine
PubChem CID154998985
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC Name3-methyl-N-pentylpent-4-en-2-amine
SMILESC=CC(C)C(C)NCCCCC
InChIInChI=1S/C11H23N/c1-5-7-8-9-12-11(4)10(3)6-2/h6,10-12H,2,5,7-9H2,1,3-4H3
InChIKeyWFBVAFGTIFQUBQ-UHFFFAOYSA-N
XLogP2.98
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 ≤ 52.98
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-(3-methylbutan-2-yl)heptan-1-amine
CID 43131205
2-(tetradecylamino)propane-1,1-diol
CID 174762987
1-(hexadecylamino)prop-2-en-1-ol
CID 143379155
N-(3-ethylpentan-2-yl)heptan-1-amine
CID 63843308
N-[(2R,3R)-3-methylpentan-2-yl]hexan-1-amine
CID 29291947
N-(1,1-difluoropropan-2-yl)octan-1-amine
CID 102869921
N-(1,1-difluoropropan-2-yl)hexan-1-amine
CID 102868054
(2S,3R)-2-(dodecylamino)octadecan-3-ol
CID 139552165
N-pent-4-en-2-ylpentan-1-amine;hydrochloride
CID 155386341
N-(3-methoxybutan-2-yl)pentan-1-amine
CID 115705771
N-propan-2-ylicosan-1-amine
CID 87246132
1-N'-butylprop-2-ene-1,1-diamine
CID 130279895

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-pentylpent-4-en-2-amine?
The IUPAC name of 3-methyl-N-pentylpent-4-en-2-amine (CID 154998985) is 3-methyl-N-pentylpent-4-en-2-amine.
What is the SMILES notation for 3-methyl-N-pentylpent-4-en-2-amine?
The canonical SMILES for 3-methyl-N-pentylpent-4-en-2-amine is C=CC(C)C(C)NCCCCC.
What is the InChIKey of 3-methyl-N-pentylpent-4-en-2-amine?
The InChIKey is WFBVAFGTIFQUBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N/c1-5-7-8-9-12-11(4)10(3)6-2/h6,10-12H,2,5,7-9H2,1,3-4H3.
What are the key properties of 3-methyl-N-pentylpent-4-en-2-amine?
3-methyl-N-pentylpent-4-en-2-amine has a molecular weight of 169.31 g/mol, XLogP of 2.98, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-pentylpent-4-en-2-amine is sourced from PubChem (CID 154998985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).