(E)-N-methyl-N-prop-2-enylpent-2-en-1-amine

C9H17N — CID 18737040

IUPAC(E)-N-methyl-N-prop-2-enylpent-2-en-1-amine
SMILESC=CCN(C)C/C=C/CC
InChIInChI=1S/C9H17N/c1-4-6-7-9-10(3)8-5-2/h5-7H,2,4,8-9H2,1,3H3/b7-6+
InChIKeyRTERCGZXQUYADJ-VOTSOKGWSA-N
MW139.24 g/mol
LogP2.07
Rot. Bonds5

About (E)-N-methyl-N-prop-2-enylpent-2-en-1-amine

(E)-N-methyl-N-prop-2-enylpent-2-en-1-amine (PubChem CID 18737040) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is (E)-N-methyl-N-prop-2-enylpent-2-en-1-amine.

Molecular Properties

Compound Name(E)-N-methyl-N-prop-2-enylpent-2-en-1-amine
PubChem CID18737040
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name(E)-N-methyl-N-prop-2-enylpent-2-en-1-amine
SMILESC=CCN(C)C/C=C/CC
InChIInChI=1S/C9H17N/c1-4-6-7-9-10(3)8-5-2/h5-7H,2,4,8-9H2,1,3H3/b7-6+
InChIKeyRTERCGZXQUYADJ-VOTSOKGWSA-N
XLogP2.07
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N-methyl-N-prop-2-enylpent-2-en-1-amine?
The IUPAC name of (E)-N-methyl-N-prop-2-enylpent-2-en-1-amine (CID 18737040) is (E)-N-methyl-N-prop-2-enylpent-2-en-1-amine.
What is the SMILES notation for (E)-N-methyl-N-prop-2-enylpent-2-en-1-amine?
The canonical SMILES for (E)-N-methyl-N-prop-2-enylpent-2-en-1-amine is C=CCN(C)C/C=C/CC.
What is the InChIKey of (E)-N-methyl-N-prop-2-enylpent-2-en-1-amine?
The InChIKey is RTERCGZXQUYADJ-VOTSOKGWSA-N. The full InChI is InChI=1S/C9H17N/c1-4-6-7-9-10(3)8-5-2/h5-7H,2,4,8-9H2,1,3H3/b7-6+.
What are the key properties of (E)-N-methyl-N-prop-2-enylpent-2-en-1-amine?
(E)-N-methyl-N-prop-2-enylpent-2-en-1-amine has a molecular weight of 139.24 g/mol, XLogP of 2.07, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-methyl-N-prop-2-enylpent-2-en-1-amine is sourced from PubChem (CID 18737040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).