(E)-1-N-[(3E,7Z)-3,7-dimethyl-6-methylideneundeca-3,7-dien-5-yl]prop-1-ene-1,2-diamine

C17H30N2 — CID 89215088

IUPAC(E)-1-N-[(3E,7Z)-3,7-dimethyl-6-methylideneundeca-3,7-dien-5-yl]prop-1-ene-1,2-diamine
SMILESC=C(/C(C)=C\CCC)C(/C=C(\C)CC)N/C=C(\C)N
InChIInChI=1S/C17H30N2/c1-7-9-10-14(4)16(6)17(11-13(3)8-2)19-12-15(5)18/h10-12,17,19H,6-9,18H2,1-5H3/b13-11+,14-10-,15-12+
InChIKeyJDVXZFPPWYGQDE-DIMLXNTNSA-N
MW262.44 g/mol
LogP4.42
Rot. Bonds8

About (E)-1-N-[(3E,7Z)-3,7-dimethyl-6-methylideneundeca-3,7-dien-5-yl]prop-1-ene-1,2-diamine

(E)-1-N-[(3E,7Z)-3,7-dimethyl-6-methylideneundeca-3,7-dien-5-yl]prop-1-ene-1,2-diamine (PubChem CID 89215088) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is (E)-1-N-[(3E,7Z)-3,7-dimethyl-6-methylideneundeca-3,7-dien-5-yl]prop-1-ene-1,2-diamine.

Molecular Properties

Compound Name(E)-1-N-[(3E,7Z)-3,7-dimethyl-6-methylideneundeca-3,7-dien-5-yl]prop-1-ene-1,2-diamine
PubChem CID89215088
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC Name(E)-1-N-[(3E,7Z)-3,7-dimethyl-6-methylideneundeca-3,7-dien-5-yl]prop-1-ene-1,2-diamine
SMILESC=C(/C(C)=C\CCC)C(/C=C(\C)CC)N/C=C(\C)N
InChIInChI=1S/C17H30N2/c1-7-9-10-14(4)16(6)17(11-13(3)8-2)19-12-15(5)18/h10-12,17,19H,6-9,18H2,1-5H3/b13-11+,14-10-,15-12+
InChIKeyJDVXZFPPWYGQDE-DIMLXNTNSA-N
XLogP4.42
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-1-N-[(3E,7Z)-3,7-dimethyl-6-methylideneundeca-3,7-dien-5-yl]prop-1-ene-1,2-diamine?
The IUPAC name of (E)-1-N-[(3E,7Z)-3,7-dimethyl-6-methylideneundeca-3,7-dien-5-yl]prop-1-ene-1,2-diamine (CID 89215088) is (E)-1-N-[(3E,7Z)-3,7-dimethyl-6-methylideneundeca-3,7-dien-5-yl]prop-1-ene-1,2-diamine.
What is the SMILES notation for (E)-1-N-[(3E,7Z)-3,7-dimethyl-6-methylideneundeca-3,7-dien-5-yl]prop-1-ene-1,2-diamine?
The canonical SMILES for (E)-1-N-[(3E,7Z)-3,7-dimethyl-6-methylideneundeca-3,7-dien-5-yl]prop-1-ene-1,2-diamine is C=C(/C(C)=C\CCC)C(/C=C(\C)CC)N/C=C(\C)N.
What is the InChIKey of (E)-1-N-[(3E,7Z)-3,7-dimethyl-6-methylideneundeca-3,7-dien-5-yl]prop-1-ene-1,2-diamine?
The InChIKey is JDVXZFPPWYGQDE-DIMLXNTNSA-N. The full InChI is InChI=1S/C17H30N2/c1-7-9-10-14(4)16(6)17(11-13(3)8-2)19-12-15(5)18/h10-12,17,19H,6-9,18H2,1-5H3/b13-11+,14-10-,15-12+.
What are the key properties of (E)-1-N-[(3E,7Z)-3,7-dimethyl-6-methylideneundeca-3,7-dien-5-yl]prop-1-ene-1,2-diamine?
(E)-1-N-[(3E,7Z)-3,7-dimethyl-6-methylideneundeca-3,7-dien-5-yl]prop-1-ene-1,2-diamine has a molecular weight of 262.44 g/mol, XLogP of 4.42, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-N-[(3E,7Z)-3,7-dimethyl-6-methylideneundeca-3,7-dien-5-yl]prop-1-ene-1,2-diamine is sourced from PubChem (CID 89215088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).