N'-(2,5-dimethylhexan-3-yl)-N-methylmethanediamine

C10H24N2 — CID 156820952

IUPACN'-(2,5-dimethylhexan-3-yl)-N-methylmethanediamine
SMILESCNCNC(CC(C)C)C(C)C
InChIInChI=1S/C10H24N2/c1-8(2)6-10(9(3)4)12-7-11-5/h8-12H,6-7H2,1-5H3
InChIKeyCACIEGVDIAKTRI-UHFFFAOYSA-N
MW172.32 g/mol
LogP1.82
Rot. Bonds6

About N'-(2,5-dimethylhexan-3-yl)-N-methylmethanediamine

N'-(2,5-dimethylhexan-3-yl)-N-methylmethanediamine (PubChem CID 156820952) has the molecular formula C10H24N2 and a molecular weight of 172.32 g/mol. Its IUPAC name is N'-(2,5-dimethylhexan-3-yl)-N-methylmethanediamine.

Molecular Properties

Compound NameN'-(2,5-dimethylhexan-3-yl)-N-methylmethanediamine
PubChem CID156820952
Molecular FormulaC10H24N2
Molecular Weight172.32 g/mol
Exact Mass172.19
IUPAC NameN'-(2,5-dimethylhexan-3-yl)-N-methylmethanediamine
SMILESCNCNC(CC(C)C)C(C)C
InChIInChI=1S/C10H24N2/c1-8(2)6-10(9(3)4)12-7-11-5/h8-12H,6-7H2,1-5H3
InChIKeyCACIEGVDIAKTRI-UHFFFAOYSA-N
XLogP1.82
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.32
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(2,5-dimethylhexan-3-yl)-N-methylmethanediamine?
The IUPAC name of N'-(2,5-dimethylhexan-3-yl)-N-methylmethanediamine (CID 156820952) is N'-(2,5-dimethylhexan-3-yl)-N-methylmethanediamine.
What is the SMILES notation for N'-(2,5-dimethylhexan-3-yl)-N-methylmethanediamine?
The canonical SMILES for N'-(2,5-dimethylhexan-3-yl)-N-methylmethanediamine is CNCNC(CC(C)C)C(C)C.
What is the InChIKey of N'-(2,5-dimethylhexan-3-yl)-N-methylmethanediamine?
The InChIKey is CACIEGVDIAKTRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2/c1-8(2)6-10(9(3)4)12-7-11-5/h8-12H,6-7H2,1-5H3.
What are the key properties of N'-(2,5-dimethylhexan-3-yl)-N-methylmethanediamine?
N'-(2,5-dimethylhexan-3-yl)-N-methylmethanediamine has a molecular weight of 172.32 g/mol, XLogP of 1.82, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,5-dimethylhexan-3-yl)-N-methylmethanediamine is sourced from PubChem (CID 156820952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).