N,3-dimethyl-N'-(3-methyliminopropyl)hexane-1,6-diamine

C12H27N3 — CID 123207374

IUPACN,3-dimethyl-N'-(3-methyliminopropyl)hexane-1,6-diamine
SMILESC/N=C/CCNCCCC(C)CCNC
InChIInChI=1S/C12H27N3/c1-12(7-11-14-3)6-4-9-15-10-5-8-13-2/h8,12,14-15H,4-7,9-11H2,1-3H3/b13-8+
InChIKeySFJDCMDLGMKBTO-MDWZMJQESA-N
MW213.37 g/mol
LogP1.69
Rot. Bonds10

About N,3-dimethyl-N'-(3-methyliminopropyl)hexane-1,6-diamine

N,3-dimethyl-N'-(3-methyliminopropyl)hexane-1,6-diamine (PubChem CID 123207374) has the molecular formula C12H27N3 and a molecular weight of 213.37 g/mol. Its IUPAC name is N,3-dimethyl-N'-(3-methyliminopropyl)hexane-1,6-diamine.

Molecular Properties

Compound NameN,3-dimethyl-N'-(3-methyliminopropyl)hexane-1,6-diamine
PubChem CID123207374
Molecular FormulaC12H27N3
Molecular Weight213.37 g/mol
Exact Mass213.22
IUPAC NameN,3-dimethyl-N'-(3-methyliminopropyl)hexane-1,6-diamine
SMILESC/N=C/CCNCCCC(C)CCNC
InChIInChI=1S/C12H27N3/c1-12(7-11-14-3)6-4-9-15-10-5-8-13-2/h8,12,14-15H,4-7,9-11H2,1-3H3/b13-8+
InChIKeySFJDCMDLGMKBTO-MDWZMJQESA-N
XLogP1.69
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.37
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-N'-(3-methyliminopropyl)hexane-1,6-diamine?
The IUPAC name of N,3-dimethyl-N'-(3-methyliminopropyl)hexane-1,6-diamine (CID 123207374) is N,3-dimethyl-N'-(3-methyliminopropyl)hexane-1,6-diamine.
What is the SMILES notation for N,3-dimethyl-N'-(3-methyliminopropyl)hexane-1,6-diamine?
The canonical SMILES for N,3-dimethyl-N'-(3-methyliminopropyl)hexane-1,6-diamine is C/N=C/CCNCCCC(C)CCNC.
What is the InChIKey of N,3-dimethyl-N'-(3-methyliminopropyl)hexane-1,6-diamine?
The InChIKey is SFJDCMDLGMKBTO-MDWZMJQESA-N. The full InChI is InChI=1S/C12H27N3/c1-12(7-11-14-3)6-4-9-15-10-5-8-13-2/h8,12,14-15H,4-7,9-11H2,1-3H3/b13-8+.
What are the key properties of N,3-dimethyl-N'-(3-methyliminopropyl)hexane-1,6-diamine?
N,3-dimethyl-N'-(3-methyliminopropyl)hexane-1,6-diamine has a molecular weight of 213.37 g/mol, XLogP of 1.69, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-N'-(3-methyliminopropyl)hexane-1,6-diamine is sourced from PubChem (CID 123207374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).