(E,4R)-7-imino-N,4,5-trimethyl-N-[(Z)-prop-1-enyl]hept-5-en-2-amine

C13H24N2 — CID 152996331

IUPAC(E,4R)-7-imino-N,4,5-trimethyl-N-[(Z)-prop-1-enyl]hept-5-en-2-amine
SMILES[H]/N=C/C=C(\C)[C@H](C)CC(C)N(C)/C=C\C
InChIInChI=1S/C13H24N2/c1-6-9-15(5)13(4)10-12(3)11(2)7-8-14/h6-9,12-14H,10H2,1-5H3/b9-6-,11-7+,14-8+/t12-,13?/m1/s1
InChIKeyUXGVLBCQQTWLQR-PIQPQNSWSA-N
MW208.35 g/mol
LogP3.46
Rot. Bonds6

About (E,4R)-7-imino-N,4,5-trimethyl-N-[(Z)-prop-1-enyl]hept-5-en-2-amine

(E,4R)-7-imino-N,4,5-trimethyl-N-[(Z)-prop-1-enyl]hept-5-en-2-amine (PubChem CID 152996331) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is (E,4R)-7-imino-N,4,5-trimethyl-N-[(Z)-prop-1-enyl]hept-5-en-2-amine.

Molecular Properties

Compound Name(E,4R)-7-imino-N,4,5-trimethyl-N-[(Z)-prop-1-enyl]hept-5-en-2-amine
PubChem CID152996331
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Name(E,4R)-7-imino-N,4,5-trimethyl-N-[(Z)-prop-1-enyl]hept-5-en-2-amine
SMILES[H]/N=C/C=C(\C)[C@H](C)CC(C)N(C)/C=C\C
InChIInChI=1S/C13H24N2/c1-6-9-15(5)13(4)10-12(3)11(2)7-8-14/h6-9,12-14H,10H2,1-5H3/b9-6-,11-7+,14-8+/t12-,13?/m1/s1
InChIKeyUXGVLBCQQTWLQR-PIQPQNSWSA-N
XLogP3.46
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E,4R)-7-imino-N,4,5-trimethyl-N-[(Z)-prop-1-enyl]hept-5-en-2-amine?
The IUPAC name of (E,4R)-7-imino-N,4,5-trimethyl-N-[(Z)-prop-1-enyl]hept-5-en-2-amine (CID 152996331) is (E,4R)-7-imino-N,4,5-trimethyl-N-[(Z)-prop-1-enyl]hept-5-en-2-amine.
What is the SMILES notation for (E,4R)-7-imino-N,4,5-trimethyl-N-[(Z)-prop-1-enyl]hept-5-en-2-amine?
The canonical SMILES for (E,4R)-7-imino-N,4,5-trimethyl-N-[(Z)-prop-1-enyl]hept-5-en-2-amine is [H]/N=C/C=C(\C)[C@H](C)CC(C)N(C)/C=C\C.
What is the InChIKey of (E,4R)-7-imino-N,4,5-trimethyl-N-[(Z)-prop-1-enyl]hept-5-en-2-amine?
The InChIKey is UXGVLBCQQTWLQR-PIQPQNSWSA-N. The full InChI is InChI=1S/C13H24N2/c1-6-9-15(5)13(4)10-12(3)11(2)7-8-14/h6-9,12-14H,10H2,1-5H3/b9-6-,11-7+,14-8+/t12-,13?/m1/s1.
What are the key properties of (E,4R)-7-imino-N,4,5-trimethyl-N-[(Z)-prop-1-enyl]hept-5-en-2-amine?
(E,4R)-7-imino-N,4,5-trimethyl-N-[(Z)-prop-1-enyl]hept-5-en-2-amine has a molecular weight of 208.35 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,4R)-7-imino-N,4,5-trimethyl-N-[(Z)-prop-1-enyl]hept-5-en-2-amine is sourced from PubChem (CID 152996331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).