2-N-methyl-2-N-propan-2-yl-1-N-prop-2-enylpropane-1,2-diamine

C10H22N2 — CID 62558150

IUPAC2-N-methyl-2-N-propan-2-yl-1-N-prop-2-enylpropane-1,2-diamine
SMILESC=CCNCC(C)N(C)C(C)C
InChIInChI=1S/C10H22N2/c1-6-7-11-8-10(4)12(5)9(2)3/h6,9-11H,1,7-8H2,2-5H3
InChIKeyGELIHVHPXKNPTJ-UHFFFAOYSA-N
MW170.30 g/mol
LogP1.49
Rot. Bonds6

About 2-N-methyl-2-N-propan-2-yl-1-N-prop-2-enylpropane-1,2-diamine

2-N-methyl-2-N-propan-2-yl-1-N-prop-2-enylpropane-1,2-diamine (PubChem CID 62558150) has the molecular formula C10H22N2 and a molecular weight of 170.30 g/mol. Its IUPAC name is 2-N-methyl-2-N-propan-2-yl-1-N-prop-2-enylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-methyl-2-N-propan-2-yl-1-N-prop-2-enylpropane-1,2-diamine
PubChem CID62558150
Molecular FormulaC10H22N2
Molecular Weight170.30 g/mol
Exact Mass170.18
IUPAC Name2-N-methyl-2-N-propan-2-yl-1-N-prop-2-enylpropane-1,2-diamine
SMILESC=CCNCC(C)N(C)C(C)C
InChIInChI=1S/C10H22N2/c1-6-7-11-8-10(4)12(5)9(2)3/h6,9-11H,1,7-8H2,2-5H3
InChIKeyGELIHVHPXKNPTJ-UHFFFAOYSA-N
XLogP1.49
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-2-N-propan-2-yl-1-N-prop-2-enylpropane-1,2-diamine?
The IUPAC name of 2-N-methyl-2-N-propan-2-yl-1-N-prop-2-enylpropane-1,2-diamine (CID 62558150) is 2-N-methyl-2-N-propan-2-yl-1-N-prop-2-enylpropane-1,2-diamine.
What is the SMILES notation for 2-N-methyl-2-N-propan-2-yl-1-N-prop-2-enylpropane-1,2-diamine?
The canonical SMILES for 2-N-methyl-2-N-propan-2-yl-1-N-prop-2-enylpropane-1,2-diamine is C=CCNCC(C)N(C)C(C)C.
What is the InChIKey of 2-N-methyl-2-N-propan-2-yl-1-N-prop-2-enylpropane-1,2-diamine?
The InChIKey is GELIHVHPXKNPTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2/c1-6-7-11-8-10(4)12(5)9(2)3/h6,9-11H,1,7-8H2,2-5H3.
What are the key properties of 2-N-methyl-2-N-propan-2-yl-1-N-prop-2-enylpropane-1,2-diamine?
2-N-methyl-2-N-propan-2-yl-1-N-prop-2-enylpropane-1,2-diamine has a molecular weight of 170.30 g/mol, XLogP of 1.49, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-2-N-propan-2-yl-1-N-prop-2-enylpropane-1,2-diamine is sourced from PubChem (CID 62558150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).