3-methylidenehex-5-en-2-amine

C7H13N — CID 173274265

IUPAC3-methylidenehex-5-en-2-amine
SMILESC=CCC(=C)C(C)N
InChIInChI=1S/C7H13N/c1-4-5-6(2)7(3)8/h4,7H,1-2,5,8H2,3H3
InChIKeyDESUMGSYQAKLLQ-UHFFFAOYSA-N
MW111.19 g/mol
LogP1.47
Rot. Bonds3

About 3-methylidenehex-5-en-2-amine

3-methylidenehex-5-en-2-amine (PubChem CID 173274265) has the molecular formula C7H13N and a molecular weight of 111.19 g/mol. Its IUPAC name is 3-methylidenehex-5-en-2-amine.

Molecular Properties

Compound Name3-methylidenehex-5-en-2-amine
PubChem CID173274265
Molecular FormulaC7H13N
Molecular Weight111.19 g/mol
Exact Mass111.10
IUPAC Name3-methylidenehex-5-en-2-amine
SMILESC=CCC(=C)C(C)N
InChIInChI=1S/C7H13N/c1-4-5-6(2)7(3)8/h4,7H,1-2,5,8H2,3H3
InChIKeyDESUMGSYQAKLLQ-UHFFFAOYSA-N
XLogP1.47
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.19
LogP ≤ 51.47
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

N-(2-aminopropyl)but-3-enamide
CID 63731694
3,7-dimethyldeca-3,6,9-trien-2-amine
CID 123138602
prop-2-enyl 2-aminopropanoate
CID 91515395
5-chloro-4-methylideneoct-1-ene
CID 57069417
6,6-dimethyl-3-methylideneheptan-2-amine
CID 145153539
(3R)-but-1-ene-2,3-diamine
CID 142167658
7-amino-6-methylideneoctan-1-ol
CID 91152854
(3E)-3-ethylhexa-3,5-dien-2-amine
CID 149492466
(2S,3R)-3-aminohex-5-en-2-ol
CID 130715143
4-amino-2-methylhepta-1,6-dien-3-one
CID 116606914
2-methylpropane;prop-2-en-1-amine
CID 161130166
(4-amino-2-prop-2-enylpent-2-enyl)phosphonic acid
CID 173397788

Frequently Asked Questions

What is the IUPAC name of 3-methylidenehex-5-en-2-amine?
The IUPAC name of 3-methylidenehex-5-en-2-amine (CID 173274265) is 3-methylidenehex-5-en-2-amine.
What is the SMILES notation for 3-methylidenehex-5-en-2-amine?
The canonical SMILES for 3-methylidenehex-5-en-2-amine is C=CCC(=C)C(C)N.
What is the InChIKey of 3-methylidenehex-5-en-2-amine?
The InChIKey is DESUMGSYQAKLLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N/c1-4-5-6(2)7(3)8/h4,7H,1-2,5,8H2,3H3.
What are the key properties of 3-methylidenehex-5-en-2-amine?
3-methylidenehex-5-en-2-amine has a molecular weight of 111.19 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidenehex-5-en-2-amine is sourced from PubChem (CID 173274265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).