4-(2-methylpropyl)hepta-1,6-dien-2-amine

C11H21N — CID 138535342

IUPAC4-(2-methylpropyl)hepta-1,6-dien-2-amine
SMILESC=CCC(CC(=C)N)CC(C)C
InChIInChI=1S/C11H21N/c1-5-6-11(7-9(2)3)8-10(4)12/h5,9,11H,1,4,6-8,12H2,2-3H3
InChIKeyLLZFGHFHRBKDQX-UHFFFAOYSA-N
MW167.30 g/mol
LogP3.09
Rot. Bonds6

About 4-(2-methylpropyl)hepta-1,6-dien-2-amine

4-(2-methylpropyl)hepta-1,6-dien-2-amine (PubChem CID 138535342) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is 4-(2-methylpropyl)hepta-1,6-dien-2-amine.

Molecular Properties

Compound Name4-(2-methylpropyl)hepta-1,6-dien-2-amine
PubChem CID138535342
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name4-(2-methylpropyl)hepta-1,6-dien-2-amine
SMILESC=CCC(CC(=C)N)CC(C)C
InChIInChI=1S/C11H21N/c1-5-6-11(7-9(2)3)8-10(4)12/h5,9,11H,1,4,6-8,12H2,2-3H3
InChIKeyLLZFGHFHRBKDQX-UHFFFAOYSA-N
XLogP3.09
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(4S)-6-methylhept-1-en-4-amine
CID 55284878
4-aminopent-4-en-2-ol
CID 88961101
ethene;4-ethylhex-1-ene
CID 159399050
5-methyl-3-(2-methylpropyl)hexanamide
CID 87709322
(2S)-1-[3-[2-[(2S)-2-hydroxy-4-methylpentoxy]ethyl]hex-5-enoxy]-4-methylpentan-2-ol
CID 101034601
4,5-dimethylhex-1-en-2-amine
CID 129255783
ethanol;4-methylpent-1-ene
CID 141289447
pent-4-en-2-ol;urea
CID 88650571
S-[(4R,5S)-2,5-dimethyloct-7-en-4-yl]thiohydroxylamine
CID 146361099
2-prop-2-enylpent-4-en-1-ol
CID 14895210
2-prop-2-enylpropane-1,3-diamine
CID 19088326
4-methylhepta-1,6-diene-1,1-diamine
CID 88988242

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropyl)hepta-1,6-dien-2-amine?
The IUPAC name of 4-(2-methylpropyl)hepta-1,6-dien-2-amine (CID 138535342) is 4-(2-methylpropyl)hepta-1,6-dien-2-amine.
What is the SMILES notation for 4-(2-methylpropyl)hepta-1,6-dien-2-amine?
The canonical SMILES for 4-(2-methylpropyl)hepta-1,6-dien-2-amine is C=CCC(CC(=C)N)CC(C)C.
What is the InChIKey of 4-(2-methylpropyl)hepta-1,6-dien-2-amine?
The InChIKey is LLZFGHFHRBKDQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N/c1-5-6-11(7-9(2)3)8-10(4)12/h5,9,11H,1,4,6-8,12H2,2-3H3.
What are the key properties of 4-(2-methylpropyl)hepta-1,6-dien-2-amine?
4-(2-methylpropyl)hepta-1,6-dien-2-amine has a molecular weight of 167.30 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropyl)hepta-1,6-dien-2-amine is sourced from PubChem (CID 138535342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).