2,2-dimethyl-N'-(2-methylpentan-3-yl)-N'-propylpropane-1,3-diamine

C14H32N2 — CID 79668130

IUPAC2,2-dimethyl-N'-(2-methylpentan-3-yl)-N'-propylpropane-1,3-diamine
SMILESCCCN(CC(C)(C)CN)C(CC)C(C)C
InChIInChI=1S/C14H32N2/c1-7-9-16(11-14(5,6)10-15)13(8-2)12(3)4/h12-13H,7-11,15H2,1-6H3
InChIKeyYCECGACPJLIDFJ-UHFFFAOYSA-N
MW228.42 g/mol
LogP3.12
Rot. Bonds8

About 2,2-dimethyl-N'-(2-methylpentan-3-yl)-N'-propylpropane-1,3-diamine

2,2-dimethyl-N'-(2-methylpentan-3-yl)-N'-propylpropane-1,3-diamine (PubChem CID 79668130) has the molecular formula C14H32N2 and a molecular weight of 228.42 g/mol. Its IUPAC name is 2,2-dimethyl-N'-(2-methylpentan-3-yl)-N'-propylpropane-1,3-diamine.

Molecular Properties

Compound Name2,2-dimethyl-N'-(2-methylpentan-3-yl)-N'-propylpropane-1,3-diamine
PubChem CID79668130
Molecular FormulaC14H32N2
Molecular Weight228.42 g/mol
Exact Mass228.26
IUPAC Name2,2-dimethyl-N'-(2-methylpentan-3-yl)-N'-propylpropane-1,3-diamine
SMILESCCCN(CC(C)(C)CN)C(CC)C(C)C
InChIInChI=1S/C14H32N2/c1-7-9-16(11-14(5,6)10-15)13(8-2)12(3)4/h12-13H,7-11,15H2,1-6H3
InChIKeyYCECGACPJLIDFJ-UHFFFAOYSA-N
XLogP3.12
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.42
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethyl-N'-(3-methylpentan-2-yl)-N'-propylpropane-1,3-diamine
CID 79661050
2,2-dimethyl-N'-propan-2-yl-N'-propylpropane-1,3-diamine
CID 62263476
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
2,2-dimethyl-N'-[1-(2-methylphenyl)ethyl]-N'-propylpropane-1,3-diamine
CID 79668294
2-[(3-amino-2,2-dimethylpropyl)-propylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 79662316
N'-[1-(5-bromofuran-2-yl)ethyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine
CID 104653819
N'-[1-(5-chlorothiophen-2-yl)ethyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine
CID 79667729
N'-[1-(2,5-dimethylphenyl)ethyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine
CID 79668132
2,2-dimethyl-N'-[1-(3-methylthiophen-2-yl)ethyl]-N'-propylpropane-1,3-diamine
CID 79668305

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N'-(2-methylpentan-3-yl)-N'-propylpropane-1,3-diamine?
The IUPAC name of 2,2-dimethyl-N'-(2-methylpentan-3-yl)-N'-propylpropane-1,3-diamine (CID 79668130) is 2,2-dimethyl-N'-(2-methylpentan-3-yl)-N'-propylpropane-1,3-diamine.
What is the SMILES notation for 2,2-dimethyl-N'-(2-methylpentan-3-yl)-N'-propylpropane-1,3-diamine?
The canonical SMILES for 2,2-dimethyl-N'-(2-methylpentan-3-yl)-N'-propylpropane-1,3-diamine is CCCN(CC(C)(C)CN)C(CC)C(C)C.
What is the InChIKey of 2,2-dimethyl-N'-(2-methylpentan-3-yl)-N'-propylpropane-1,3-diamine?
The InChIKey is YCECGACPJLIDFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N2/c1-7-9-16(11-14(5,6)10-15)13(8-2)12(3)4/h12-13H,7-11,15H2,1-6H3.
What are the key properties of 2,2-dimethyl-N'-(2-methylpentan-3-yl)-N'-propylpropane-1,3-diamine?
2,2-dimethyl-N'-(2-methylpentan-3-yl)-N'-propylpropane-1,3-diamine has a molecular weight of 228.42 g/mol, XLogP of 3.12, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N'-(2-methylpentan-3-yl)-N'-propylpropane-1,3-diamine is sourced from PubChem (CID 79668130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).