1-N,2-dimethyl-1-N-phenylbutane-1,2-diamine

C12H20N2 — CID 79810832

IUPAC1-N,2-dimethyl-1-N-phenylbutane-1,2-diamine
SMILESCCC(C)(N)CN(C)c1ccccc1
InChIInChI=1S/C12H20N2/c1-4-12(2,13)10-14(3)11-8-6-5-7-9-11/h5-9H,4,10,13H2,1-3H3
InChIKeyOVDVLNJBFQDYSM-UHFFFAOYSA-N
MW192.31 g/mol
LogP2.25
Rot. Bonds4

About 1-N,2-dimethyl-1-N-phenylbutane-1,2-diamine

1-N,2-dimethyl-1-N-phenylbutane-1,2-diamine (PubChem CID 79810832) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 1-N,2-dimethyl-1-N-phenylbutane-1,2-diamine.

Molecular Properties

Compound Name1-N,2-dimethyl-1-N-phenylbutane-1,2-diamine
PubChem CID79810832
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name1-N,2-dimethyl-1-N-phenylbutane-1,2-diamine
SMILESCCC(C)(N)CN(C)c1ccccc1
InChIInChI=1S/C12H20N2/c1-4-12(2,13)10-14(3)11-8-6-5-7-9-11/h5-9H,4,10,13H2,1-3H3
InChIKeyOVDVLNJBFQDYSM-UHFFFAOYSA-N
XLogP2.25
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-N,2-dimethyl-1-N-phenylbutane-1,2-diamine?
The IUPAC name of 1-N,2-dimethyl-1-N-phenylbutane-1,2-diamine (CID 79810832) is 1-N,2-dimethyl-1-N-phenylbutane-1,2-diamine.
What is the SMILES notation for 1-N,2-dimethyl-1-N-phenylbutane-1,2-diamine?
The canonical SMILES for 1-N,2-dimethyl-1-N-phenylbutane-1,2-diamine is CCC(C)(N)CN(C)c1ccccc1.
What is the InChIKey of 1-N,2-dimethyl-1-N-phenylbutane-1,2-diamine?
The InChIKey is OVDVLNJBFQDYSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-4-12(2,13)10-14(3)11-8-6-5-7-9-11/h5-9H,4,10,13H2,1-3H3.
What are the key properties of 1-N,2-dimethyl-1-N-phenylbutane-1,2-diamine?
1-N,2-dimethyl-1-N-phenylbutane-1,2-diamine has a molecular weight of 192.31 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-dimethyl-1-N-phenylbutane-1,2-diamine is sourced from PubChem (CID 79810832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).