(E)-2-(2-methylprop-1-enyl)pent-2-en-1-amine

C9H17N — CID 144589787

IUPAC(E)-2-(2-methylprop-1-enyl)pent-2-en-1-amine
SMILESCC/C=C(\C=C(C)C)CN
InChIInChI=1S/C9H17N/c1-4-5-9(7-10)6-8(2)3/h5-6H,4,7,10H2,1-3H3/b9-5+
InChIKeyYURZVOFLTMZUQI-WEVVVXLNSA-N
MW139.24 g/mol
LogP2.25
Rot. Bonds3

About (E)-2-(2-methylprop-1-enyl)pent-2-en-1-amine

(E)-2-(2-methylprop-1-enyl)pent-2-en-1-amine (PubChem CID 144589787) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is (E)-2-(2-methylprop-1-enyl)pent-2-en-1-amine.

Molecular Properties

Compound Name(E)-2-(2-methylprop-1-enyl)pent-2-en-1-amine
PubChem CID144589787
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name(E)-2-(2-methylprop-1-enyl)pent-2-en-1-amine
SMILESCC/C=C(\C=C(C)C)CN
InChIInChI=1S/C9H17N/c1-4-5-9(7-10)6-8(2)3/h5-6H,4,7,10H2,1-3H3/b9-5+
InChIKeyYURZVOFLTMZUQI-WEVVVXLNSA-N
XLogP2.25
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2E,4E)-4-(hydroperoxymethyl)hepta-2,4-dien-2-amine
CID 163804897
(E,2E)-2-ethylidenepent-3-ene-1,4-diamine
CID 163733302
methanamine;(Z)-pent-2-en-2-amine
CID 145487101
(3E)-4,6-dimethylhepta-3,5-dien-1-amine
CID 131406704
(2E,4E)-4-ethyl-2-methylhepta-2,4-dienoic acid
CID 11309745
carbon dioxide;2-methylpent-2-ene
CID 174340897
bis(but-1-ene);tetrakis(2-methylpent-2-ene)
CID 158752842
3-methylpent-2-en-1-amine
CID 76997051
(E,2Z)-3-fluoro-2-propylidenehex-3-en-1-amine
CID 142166676
(E)-2-[(Z)-pent-2-en-3-yl]pent-2-en-1-amine
CID 89032252
6,10-bis(ethenyl)-2-methyltrideca-2,6,10-triene
CID 123903824
ethane;(5Z,7Z)-2,5,7-trimethyl-4-methylidenedeca-2,5,7-triene
CID 172595101

Frequently Asked Questions

What is the IUPAC name of (E)-2-(2-methylprop-1-enyl)pent-2-en-1-amine?
The IUPAC name of (E)-2-(2-methylprop-1-enyl)pent-2-en-1-amine (CID 144589787) is (E)-2-(2-methylprop-1-enyl)pent-2-en-1-amine.
What is the SMILES notation for (E)-2-(2-methylprop-1-enyl)pent-2-en-1-amine?
The canonical SMILES for (E)-2-(2-methylprop-1-enyl)pent-2-en-1-amine is CC/C=C(\C=C(C)C)CN.
What is the InChIKey of (E)-2-(2-methylprop-1-enyl)pent-2-en-1-amine?
The InChIKey is YURZVOFLTMZUQI-WEVVVXLNSA-N. The full InChI is InChI=1S/C9H17N/c1-4-5-9(7-10)6-8(2)3/h5-6H,4,7,10H2,1-3H3/b9-5+.
What are the key properties of (E)-2-(2-methylprop-1-enyl)pent-2-en-1-amine?
(E)-2-(2-methylprop-1-enyl)pent-2-en-1-amine has a molecular weight of 139.24 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(2-methylprop-1-enyl)pent-2-en-1-amine is sourced from PubChem (CID 144589787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).