1-N,1-N-dimethyl-2-N-(3-methylbut-1-en-2-yl)propane-1,2-diamine

C10H22N2 — CID 88544310

IUPAC1-N,1-N-dimethyl-2-N-(3-methylbut-1-en-2-yl)propane-1,2-diamine
SMILESC=C(NC(C)CN(C)C)C(C)C
InChIInChI=1S/C10H22N2/c1-8(2)10(4)11-9(3)7-12(5)6/h8-9,11H,4,7H2,1-3,5-6H3
InChIKeyIKYJAFDZKKVCAC-UHFFFAOYSA-N
MW170.30 g/mol
LogP1.70
Rot. Bonds5

About 1-N,1-N-dimethyl-2-N-(3-methylbut-1-en-2-yl)propane-1,2-diamine

1-N,1-N-dimethyl-2-N-(3-methylbut-1-en-2-yl)propane-1,2-diamine (PubChem CID 88544310) has the molecular formula C10H22N2 and a molecular weight of 170.30 g/mol. Its IUPAC name is 1-N,1-N-dimethyl-2-N-(3-methylbut-1-en-2-yl)propane-1,2-diamine.

Molecular Properties

Compound Name1-N,1-N-dimethyl-2-N-(3-methylbut-1-en-2-yl)propane-1,2-diamine
PubChem CID88544310
Molecular FormulaC10H22N2
Molecular Weight170.30 g/mol
Exact Mass170.18
IUPAC Name1-N,1-N-dimethyl-2-N-(3-methylbut-1-en-2-yl)propane-1,2-diamine
SMILESC=C(NC(C)CN(C)C)C(C)C
InChIInChI=1S/C10H22N2/c1-8(2)10(4)11-9(3)7-12(5)6/h8-9,11H,4,7H2,1-3,5-6H3
InChIKeyIKYJAFDZKKVCAC-UHFFFAOYSA-N
XLogP1.70
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-dimethyl-2-N-(3-methylbut-1-en-2-yl)propane-1,2-diamine?
The IUPAC name of 1-N,1-N-dimethyl-2-N-(3-methylbut-1-en-2-yl)propane-1,2-diamine (CID 88544310) is 1-N,1-N-dimethyl-2-N-(3-methylbut-1-en-2-yl)propane-1,2-diamine.
What is the SMILES notation for 1-N,1-N-dimethyl-2-N-(3-methylbut-1-en-2-yl)propane-1,2-diamine?
The canonical SMILES for 1-N,1-N-dimethyl-2-N-(3-methylbut-1-en-2-yl)propane-1,2-diamine is C=C(NC(C)CN(C)C)C(C)C.
What is the InChIKey of 1-N,1-N-dimethyl-2-N-(3-methylbut-1-en-2-yl)propane-1,2-diamine?
The InChIKey is IKYJAFDZKKVCAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2/c1-8(2)10(4)11-9(3)7-12(5)6/h8-9,11H,4,7H2,1-3,5-6H3.
What are the key properties of 1-N,1-N-dimethyl-2-N-(3-methylbut-1-en-2-yl)propane-1,2-diamine?
1-N,1-N-dimethyl-2-N-(3-methylbut-1-en-2-yl)propane-1,2-diamine has a molecular weight of 170.30 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-dimethyl-2-N-(3-methylbut-1-en-2-yl)propane-1,2-diamine is sourced from PubChem (CID 88544310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).