N,N'-dimethyl-N'-[3-[(3E)-6-methylhepta-3,5-dien-3-yl]oxypropyl]ethane-1,2-diamine

C15H30N2O — CID 142989791

IUPACN,N'-dimethyl-N'-[3-[(3E)-6-methylhepta-3,5-dien-3-yl]oxypropyl]ethane-1,2-diamine
SMILESCC/C(=C\C=C(C)C)OCCCN(C)CCNC
InChIInChI=1S/C15H30N2O/c1-6-15(9-8-14(2)3)18-13-7-11-17(5)12-10-16-4/h8-9,16H,6-7,10-13H2,1-5H3/b15-9+
InChIKeyPNEWPNWPGUNLNK-OQLLNIDSSA-N
MW254.42 g/mol
LogP2.80
Rot. Bonds10

About N,N'-dimethyl-N'-[3-[(3E)-6-methylhepta-3,5-dien-3-yl]oxypropyl]ethane-1,2-diamine

N,N'-dimethyl-N'-[3-[(3E)-6-methylhepta-3,5-dien-3-yl]oxypropyl]ethane-1,2-diamine (PubChem CID 142989791) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is N,N'-dimethyl-N'-[3-[(3E)-6-methylhepta-3,5-dien-3-yl]oxypropyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN,N'-dimethyl-N'-[3-[(3E)-6-methylhepta-3,5-dien-3-yl]oxypropyl]ethane-1,2-diamine
PubChem CID142989791
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC NameN,N'-dimethyl-N'-[3-[(3E)-6-methylhepta-3,5-dien-3-yl]oxypropyl]ethane-1,2-diamine
SMILESCC/C(=C\C=C(C)C)OCCCN(C)CCNC
InChIInChI=1S/C15H30N2O/c1-6-15(9-8-14(2)3)18-13-7-11-17(5)12-10-16-4/h8-9,16H,6-7,10-13H2,1-5H3/b15-9+
InChIKeyPNEWPNWPGUNLNK-OQLLNIDSSA-N
XLogP2.80
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze N,N'-dimethyl-N'-[3-[(3E)-6-methylhepta-3,5-dien-3-yl]oxypropyl]ethane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N'-dimethyl-N'-[3-[(3E)-6-methylhepta-3,5-dien-3-yl]oxypropyl]ethane-1,2-diamine?
The IUPAC name of N,N'-dimethyl-N'-[3-[(3E)-6-methylhepta-3,5-dien-3-yl]oxypropyl]ethane-1,2-diamine (CID 142989791) is N,N'-dimethyl-N'-[3-[(3E)-6-methylhepta-3,5-dien-3-yl]oxypropyl]ethane-1,2-diamine.
What is the SMILES notation for N,N'-dimethyl-N'-[3-[(3E)-6-methylhepta-3,5-dien-3-yl]oxypropyl]ethane-1,2-diamine?
The canonical SMILES for N,N'-dimethyl-N'-[3-[(3E)-6-methylhepta-3,5-dien-3-yl]oxypropyl]ethane-1,2-diamine is CC/C(=C\C=C(C)C)OCCCN(C)CCNC.
What is the InChIKey of N,N'-dimethyl-N'-[3-[(3E)-6-methylhepta-3,5-dien-3-yl]oxypropyl]ethane-1,2-diamine?
The InChIKey is PNEWPNWPGUNLNK-OQLLNIDSSA-N. The full InChI is InChI=1S/C15H30N2O/c1-6-15(9-8-14(2)3)18-13-7-11-17(5)12-10-16-4/h8-9,16H,6-7,10-13H2,1-5H3/b15-9+.
What are the key properties of N,N'-dimethyl-N'-[3-[(3E)-6-methylhepta-3,5-dien-3-yl]oxypropyl]ethane-1,2-diamine?
N,N'-dimethyl-N'-[3-[(3E)-6-methylhepta-3,5-dien-3-yl]oxypropyl]ethane-1,2-diamine has a molecular weight of 254.42 g/mol, XLogP of 2.80, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethyl-N'-[3-[(3E)-6-methylhepta-3,5-dien-3-yl]oxypropyl]ethane-1,2-diamine is sourced from PubChem (CID 142989791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).