N-methyl-3-propylidenehexane-1,6-diamine

C10H22N2 — CID 150021227

IUPACN-methyl-3-propylidenehexane-1,6-diamine
SMILESCCC=C(CCCN)CCNC
InChIInChI=1S/C10H22N2/c1-3-5-10(6-4-8-11)7-9-12-2/h5,12H,3-4,6-9,11H2,1-2H3
InChIKeyDFHISGYZYPYYDF-UHFFFAOYSA-N
MW170.30 g/mol
LogP1.67
Rot. Bonds7

About N-methyl-3-propylidenehexane-1,6-diamine

N-methyl-3-propylidenehexane-1,6-diamine (PubChem CID 150021227) has the molecular formula C10H22N2 and a molecular weight of 170.30 g/mol. Its IUPAC name is N-methyl-3-propylidenehexane-1,6-diamine.

Molecular Properties

Compound NameN-methyl-3-propylidenehexane-1,6-diamine
PubChem CID150021227
Molecular FormulaC10H22N2
Molecular Weight170.30 g/mol
Exact Mass170.18
IUPAC NameN-methyl-3-propylidenehexane-1,6-diamine
SMILESCCC=C(CCCN)CCNC
InChIInChI=1S/C10H22N2/c1-3-5-10(6-4-8-11)7-9-12-2/h5,12H,3-4,6-9,11H2,1-2H3
InChIKeyDFHISGYZYPYYDF-UHFFFAOYSA-N
XLogP1.67
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-propylidenehexane-1,6-diamine?
The IUPAC name of N-methyl-3-propylidenehexane-1,6-diamine (CID 150021227) is N-methyl-3-propylidenehexane-1,6-diamine.
What is the SMILES notation for N-methyl-3-propylidenehexane-1,6-diamine?
The canonical SMILES for N-methyl-3-propylidenehexane-1,6-diamine is CCC=C(CCCN)CCNC.
What is the InChIKey of N-methyl-3-propylidenehexane-1,6-diamine?
The InChIKey is DFHISGYZYPYYDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2/c1-3-5-10(6-4-8-11)7-9-12-2/h5,12H,3-4,6-9,11H2,1-2H3.
What are the key properties of N-methyl-3-propylidenehexane-1,6-diamine?
N-methyl-3-propylidenehexane-1,6-diamine has a molecular weight of 170.30 g/mol, XLogP of 1.67, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-propylidenehexane-1,6-diamine is sourced from PubChem (CID 150021227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).