5,5-dimethyl-1-N-[(E)-prop-1-enyl]dec-9-ene-1,9-diamine

C15H30N2 — CID 170108360

IUPAC5,5-dimethyl-1-N-[(E)-prop-1-enyl]dec-9-ene-1,9-diamine
SMILESC=C(N)CCCC(C)(C)CCCCN/C=C/C
InChIInChI=1S/C15H30N2/c1-5-12-17-13-7-6-10-15(3,4)11-8-9-14(2)16/h5,12,17H,2,6-11,13,16H2,1,3-4H3/b12-5+
InChIKeyYOYXRBIQOKRDEJ-LFYBBSHMSA-N
MW238.42 g/mol
LogP3.95
Rot. Bonds10

About 5,5-dimethyl-1-N-[(E)-prop-1-enyl]dec-9-ene-1,9-diamine

5,5-dimethyl-1-N-[(E)-prop-1-enyl]dec-9-ene-1,9-diamine (PubChem CID 170108360) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is 5,5-dimethyl-1-N-[(E)-prop-1-enyl]dec-9-ene-1,9-diamine.

Molecular Properties

Compound Name5,5-dimethyl-1-N-[(E)-prop-1-enyl]dec-9-ene-1,9-diamine
PubChem CID170108360
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC Name5,5-dimethyl-1-N-[(E)-prop-1-enyl]dec-9-ene-1,9-diamine
SMILESC=C(N)CCCC(C)(C)CCCCN/C=C/C
InChIInChI=1S/C15H30N2/c1-5-12-17-13-7-6-10-15(3,4)11-8-9-14(2)16/h5,12,17H,2,6-11,13,16H2,1,3-4H3/b12-5+
InChIKeyYOYXRBIQOKRDEJ-LFYBBSHMSA-N
XLogP3.95
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-1-N-[(E)-prop-1-enyl]dec-9-ene-1,9-diamine?
The IUPAC name of 5,5-dimethyl-1-N-[(E)-prop-1-enyl]dec-9-ene-1,9-diamine (CID 170108360) is 5,5-dimethyl-1-N-[(E)-prop-1-enyl]dec-9-ene-1,9-diamine.
What is the SMILES notation for 5,5-dimethyl-1-N-[(E)-prop-1-enyl]dec-9-ene-1,9-diamine?
The canonical SMILES for 5,5-dimethyl-1-N-[(E)-prop-1-enyl]dec-9-ene-1,9-diamine is C=C(N)CCCC(C)(C)CCCCN/C=C/C.
What is the InChIKey of 5,5-dimethyl-1-N-[(E)-prop-1-enyl]dec-9-ene-1,9-diamine?
The InChIKey is YOYXRBIQOKRDEJ-LFYBBSHMSA-N. The full InChI is InChI=1S/C15H30N2/c1-5-12-17-13-7-6-10-15(3,4)11-8-9-14(2)16/h5,12,17H,2,6-11,13,16H2,1,3-4H3/b12-5+.
What are the key properties of 5,5-dimethyl-1-N-[(E)-prop-1-enyl]dec-9-ene-1,9-diamine?
5,5-dimethyl-1-N-[(E)-prop-1-enyl]dec-9-ene-1,9-diamine has a molecular weight of 238.42 g/mol, XLogP of 3.95, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-1-N-[(E)-prop-1-enyl]dec-9-ene-1,9-diamine is sourced from PubChem (CID 170108360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).