N'-methyl-N-prop-1-en-2-yl-N'-propylpropane-1,3-diamine

C10H22N2 — CID 138576390

IUPACN'-methyl-N-prop-1-en-2-yl-N'-propylpropane-1,3-diamine
SMILESC=C(C)NCCCN(C)CCC
InChIInChI=1S/C10H22N2/c1-5-8-12(4)9-6-7-11-10(2)3/h11H,2,5-9H2,1,3-4H3
InChIKeyMWTWIBJDIBXFQB-UHFFFAOYSA-N
MW170.30 g/mol
LogP1.84
Rot. Bonds7

About N'-methyl-N-prop-1-en-2-yl-N'-propylpropane-1,3-diamine

N'-methyl-N-prop-1-en-2-yl-N'-propylpropane-1,3-diamine (PubChem CID 138576390) has the molecular formula C10H22N2 and a molecular weight of 170.30 g/mol. Its IUPAC name is N'-methyl-N-prop-1-en-2-yl-N'-propylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-methyl-N-prop-1-en-2-yl-N'-propylpropane-1,3-diamine
PubChem CID138576390
Molecular FormulaC10H22N2
Molecular Weight170.30 g/mol
Exact Mass170.18
IUPAC NameN'-methyl-N-prop-1-en-2-yl-N'-propylpropane-1,3-diamine
SMILESC=C(C)NCCCN(C)CCC
InChIInChI=1S/C10H22N2/c1-5-8-12(4)9-6-7-11-10(2)3/h11H,2,5-9H2,1,3-4H3
InChIKeyMWTWIBJDIBXFQB-UHFFFAOYSA-N
XLogP1.84
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 51.84
H-Bond Donors ≤ 51
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 N'-methyl-N-prop-1-en-2-yl-N'-propylpropane-1,3-diamine?
The IUPAC name of N'-methyl-N-prop-1-en-2-yl-N'-propylpropane-1,3-diamine (CID 138576390) is N'-methyl-N-prop-1-en-2-yl-N'-propylpropane-1,3-diamine.
What is the SMILES notation for N'-methyl-N-prop-1-en-2-yl-N'-propylpropane-1,3-diamine?
The canonical SMILES for N'-methyl-N-prop-1-en-2-yl-N'-propylpropane-1,3-diamine is C=C(C)NCCCN(C)CCC.
What is the InChIKey of N'-methyl-N-prop-1-en-2-yl-N'-propylpropane-1,3-diamine?
The InChIKey is MWTWIBJDIBXFQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2/c1-5-8-12(4)9-6-7-11-10(2)3/h11H,2,5-9H2,1,3-4H3.
What are the key properties of N'-methyl-N-prop-1-en-2-yl-N'-propylpropane-1,3-diamine?
N'-methyl-N-prop-1-en-2-yl-N'-propylpropane-1,3-diamine has a molecular weight of 170.30 g/mol, XLogP of 1.84, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-prop-1-en-2-yl-N'-propylpropane-1,3-diamine is sourced from PubChem (CID 138576390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).