2,2-dimethyl-N'-propan-2-yl-N'-propylpropane-1,3-diamine

C11H26N2 — CID 62263476

IUPAC2,2-dimethyl-N'-propan-2-yl-N'-propylpropane-1,3-diamine
SMILESCCCN(CC(C)(C)CN)C(C)C
InChIInChI=1S/C11H26N2/c1-6-7-13(10(2)3)9-11(4,5)8-12/h10H,6-9,12H2,1-5H3
InChIKeyXMMIBTQAFTYKGA-UHFFFAOYSA-N
MW186.34 g/mol
LogP2.09
Rot. Bonds6

About 2,2-dimethyl-N'-propan-2-yl-N'-propylpropane-1,3-diamine

2,2-dimethyl-N'-propan-2-yl-N'-propylpropane-1,3-diamine (PubChem CID 62263476) has the molecular formula C11H26N2 and a molecular weight of 186.34 g/mol. Its IUPAC name is 2,2-dimethyl-N'-propan-2-yl-N'-propylpropane-1,3-diamine.

Molecular Properties

Compound Name2,2-dimethyl-N'-propan-2-yl-N'-propylpropane-1,3-diamine
PubChem CID62263476
Molecular FormulaC11H26N2
Molecular Weight186.34 g/mol
Exact Mass186.21
IUPAC Name2,2-dimethyl-N'-propan-2-yl-N'-propylpropane-1,3-diamine
SMILESCCCN(CC(C)(C)CN)C(C)C
InChIInChI=1S/C11H26N2/c1-6-7-13(10(2)3)9-11(4,5)8-12/h10H,6-9,12H2,1-5H3
InChIKeyXMMIBTQAFTYKGA-UHFFFAOYSA-N
XLogP2.09
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.34
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethyl-N'-(2-methylpentan-3-yl)-N'-propylpropane-1,3-diamine
CID 79668130
2,2-dimethyl-N'-(3-methylpentan-2-yl)-N'-propylpropane-1,3-diamine
CID 79661050
N'-(4-methoxy-4-methylpentan-2-yl)-2,2-dimethyl-N'-propylpropane-1,3-diamine
CID 79667971
N'-[1-[4-(dimethylamino)phenyl]ethyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine
CID 79662952
2,2-dimethyl-N'-[1-(5-methylfuran-2-yl)ethyl]-N'-propylpropane-1,3-diamine
CID 79668547
2-[1-[(3-amino-2,2-dimethylpropyl)-propylamino]ethyl]benzene-1,3-diol
CID 107711458
2-[(3-amino-2,2-dimethylpropyl)-propylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 79662316
2,2-dimethyl-N'-[1-(2-methylphenyl)ethyl]-N'-propylpropane-1,3-diamine
CID 79668294
N'-[1-(5-bromofuran-2-yl)ethyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine
CID 104653819
2-[(3-amino-2,2-dimethylpropyl)-propylsulfamoyl]propanoic acid
CID 79668616
N'-[1-(2,5-dimethylphenyl)ethyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine
CID 79668132
N'-[1-(5-chlorothiophen-2-yl)ethyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine
CID 79667729

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N'-propan-2-yl-N'-propylpropane-1,3-diamine?
The IUPAC name of 2,2-dimethyl-N'-propan-2-yl-N'-propylpropane-1,3-diamine (CID 62263476) is 2,2-dimethyl-N'-propan-2-yl-N'-propylpropane-1,3-diamine.
What is the SMILES notation for 2,2-dimethyl-N'-propan-2-yl-N'-propylpropane-1,3-diamine?
The canonical SMILES for 2,2-dimethyl-N'-propan-2-yl-N'-propylpropane-1,3-diamine is CCCN(CC(C)(C)CN)C(C)C.
What is the InChIKey of 2,2-dimethyl-N'-propan-2-yl-N'-propylpropane-1,3-diamine?
The InChIKey is XMMIBTQAFTYKGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2/c1-6-7-13(10(2)3)9-11(4,5)8-12/h10H,6-9,12H2,1-5H3.
What are the key properties of 2,2-dimethyl-N'-propan-2-yl-N'-propylpropane-1,3-diamine?
2,2-dimethyl-N'-propan-2-yl-N'-propylpropane-1,3-diamine has a molecular weight of 186.34 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N'-propan-2-yl-N'-propylpropane-1,3-diamine is sourced from PubChem (CID 62263476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).