(E,5S)-N,5-dimethyl-4-methylidene-6-methylimino-2-[(Z)-prop-1-enyl]hept-2-en-1-amine

C14H24N2 — CID 155001739

IUPAC(E,5S)-N,5-dimethyl-4-methylidene-6-methylimino-2-[(Z)-prop-1-enyl]hept-2-en-1-amine
SMILESC=C(/C=C(\C=C/C)CNC)[C@H](C)/C(C)=N/C
InChIInChI=1S/C14H24N2/c1-7-8-14(10-15-5)9-11(2)12(3)13(4)16-6/h7-9,12,15H,2,10H2,1,3-6H3/b8-7-,14-9+,16-13+/t12-/m0/s1
InChIKeyUCERCDNBLDAIMQ-ACNCHSPCSA-N
MW220.36 g/mol
LogP2.99
Rot. Bonds6

About (E,5S)-N,5-dimethyl-4-methylidene-6-methylimino-2-[(Z)-prop-1-enyl]hept-2-en-1-amine

(E,5S)-N,5-dimethyl-4-methylidene-6-methylimino-2-[(Z)-prop-1-enyl]hept-2-en-1-amine (PubChem CID 155001739) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is (E,5S)-N,5-dimethyl-4-methylidene-6-methylimino-2-[(Z)-prop-1-enyl]hept-2-en-1-amine.

Molecular Properties

Compound Name(E,5S)-N,5-dimethyl-4-methylidene-6-methylimino-2-[(Z)-prop-1-enyl]hept-2-en-1-amine
PubChem CID155001739
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name(E,5S)-N,5-dimethyl-4-methylidene-6-methylimino-2-[(Z)-prop-1-enyl]hept-2-en-1-amine
SMILESC=C(/C=C(\C=C/C)CNC)[C@H](C)/C(C)=N/C
InChIInChI=1S/C14H24N2/c1-7-8-14(10-15-5)9-11(2)12(3)13(4)16-6/h7-9,12,15H,2,10H2,1,3-6H3/b8-7-,14-9+,16-13+/t12-/m0/s1
InChIKeyUCERCDNBLDAIMQ-ACNCHSPCSA-N
XLogP2.99
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E,5S)-N,5-dimethyl-4-methylidene-6-methylimino-2-[(Z)-prop-1-enyl]hept-2-en-1-amine?
The IUPAC name of (E,5S)-N,5-dimethyl-4-methylidene-6-methylimino-2-[(Z)-prop-1-enyl]hept-2-en-1-amine (CID 155001739) is (E,5S)-N,5-dimethyl-4-methylidene-6-methylimino-2-[(Z)-prop-1-enyl]hept-2-en-1-amine.
What is the SMILES notation for (E,5S)-N,5-dimethyl-4-methylidene-6-methylimino-2-[(Z)-prop-1-enyl]hept-2-en-1-amine?
The canonical SMILES for (E,5S)-N,5-dimethyl-4-methylidene-6-methylimino-2-[(Z)-prop-1-enyl]hept-2-en-1-amine is C=C(/C=C(\C=C/C)CNC)[C@H](C)/C(C)=N/C.
What is the InChIKey of (E,5S)-N,5-dimethyl-4-methylidene-6-methylimino-2-[(Z)-prop-1-enyl]hept-2-en-1-amine?
The InChIKey is UCERCDNBLDAIMQ-ACNCHSPCSA-N. The full InChI is InChI=1S/C14H24N2/c1-7-8-14(10-15-5)9-11(2)12(3)13(4)16-6/h7-9,12,15H,2,10H2,1,3-6H3/b8-7-,14-9+,16-13+/t12-/m0/s1.
What are the key properties of (E,5S)-N,5-dimethyl-4-methylidene-6-methylimino-2-[(Z)-prop-1-enyl]hept-2-en-1-amine?
(E,5S)-N,5-dimethyl-4-methylidene-6-methylimino-2-[(Z)-prop-1-enyl]hept-2-en-1-amine has a molecular weight of 220.36 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,5S)-N,5-dimethyl-4-methylidene-6-methylimino-2-[(Z)-prop-1-enyl]hept-2-en-1-amine is sourced from PubChem (CID 155001739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).