(E)-N-methylhept-5-en-2-amine

C8H17N — CID 6435019

IUPAC(E)-N-methylhept-5-en-2-amine
SMILESC/C=C/CCC(C)NC
InChIInChI=1S/C8H17N/c1-4-5-6-7-8(2)9-3/h4-5,8-9H,6-7H2,1-3H3/b5-4+
InChIKeyXHXKYRYYOVOOHI-SNAWJCMRSA-N
MW127.23 g/mol
LogP1.95
Rot. Bonds4

About (E)-N-methylhept-5-en-2-amine

(E)-N-methylhept-5-en-2-amine (PubChem CID 6435019) has the molecular formula C8H17N and a molecular weight of 127.23 g/mol. Its IUPAC name is (E)-N-methylhept-5-en-2-amine.

Molecular Properties

Compound Name(E)-N-methylhept-5-en-2-amine
PubChem CID6435019
Molecular FormulaC8H17N
Molecular Weight127.23 g/mol
Exact Mass127.14
IUPAC Name(E)-N-methylhept-5-en-2-amine
SMILESC/C=C/CCC(C)NC
InChIInChI=1S/C8H17N/c1-4-5-6-7-8(2)9-3/h4-5,8-9H,6-7H2,1-3H3/b5-4+
InChIKeyXHXKYRYYOVOOHI-SNAWJCMRSA-N
XLogP1.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.23
LogP ≤ 51.95
H-Bond Donors ≤ 51
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-methylhept-5-en-2-amine?
The IUPAC name of (E)-N-methylhept-5-en-2-amine (CID 6435019) is (E)-N-methylhept-5-en-2-amine.
What is the SMILES notation for (E)-N-methylhept-5-en-2-amine?
The canonical SMILES for (E)-N-methylhept-5-en-2-amine is C/C=C/CCC(C)NC.
What is the InChIKey of (E)-N-methylhept-5-en-2-amine?
The InChIKey is XHXKYRYYOVOOHI-SNAWJCMRSA-N. The full InChI is InChI=1S/C8H17N/c1-4-5-6-7-8(2)9-3/h4-5,8-9H,6-7H2,1-3H3/b5-4+.
What are the key properties of (E)-N-methylhept-5-en-2-amine?
(E)-N-methylhept-5-en-2-amine has a molecular weight of 127.23 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-methylhept-5-en-2-amine is sourced from PubChem (CID 6435019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).