2,2-dimethyl-N'-(3-methylbut-3-enyl)-N'-propylpropane-1,3-diamine

C13H28N2 — CID 114473392

IUPAC2,2-dimethyl-N'-(3-methylbut-3-enyl)-N'-propylpropane-1,3-diamine
SMILESC=C(C)CCN(CCC)CC(C)(C)CN
InChIInChI=1S/C13H28N2/c1-6-8-15(9-7-12(2)3)11-13(4,5)10-14/h2,6-11,14H2,1,3-5H3
InChIKeyZAUJEYXQWDMFEO-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.65
Rot. Bonds8

About 2,2-dimethyl-N'-(3-methylbut-3-enyl)-N'-propylpropane-1,3-diamine

2,2-dimethyl-N'-(3-methylbut-3-enyl)-N'-propylpropane-1,3-diamine (PubChem CID 114473392) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is 2,2-dimethyl-N'-(3-methylbut-3-enyl)-N'-propylpropane-1,3-diamine.

Molecular Properties

Compound Name2,2-dimethyl-N'-(3-methylbut-3-enyl)-N'-propylpropane-1,3-diamine
PubChem CID114473392
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC Name2,2-dimethyl-N'-(3-methylbut-3-enyl)-N'-propylpropane-1,3-diamine
SMILESC=C(C)CCN(CCC)CC(C)(C)CN
InChIInChI=1S/C13H28N2/c1-6-8-15(9-7-12(2)3)11-13(4,5)10-14/h2,6-11,14H2,1,3-5H3
InChIKeyZAUJEYXQWDMFEO-UHFFFAOYSA-N
XLogP2.65
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-(2-ethylsulfonylethyl)-2,2-dimethyl-N'-propylpropane-1,3-diamine
CID 79661692
3-[(3-amino-2,2-dimethylpropyl)-propylamino]-2-methylpropanamide
CID 79661269
3-[(3-amino-2,2-dimethylpropyl)-propylamino]propane-1,2-diol
CID 82849978
1-amino-3-(dipropylamino)-2-methylpropan-2-ol
CID 64819638
N'-(2,3-dichloroprop-2-enyl)-2,2-dimethyl-N'-propylpropane-1,3-diamine
CID 79662162
1-[(3-amino-2,2-dimethylpropyl)-propylamino]-3-methoxypropan-2-ol
CID 79661527
2-[(3-amino-2,2-dimethylpropyl)-propylamino]-N-propylacetamide
CID 79662015
8-methyl-N-(6-methylhept-6-enyl)-N-propylnon-8-en-1-amine
CID 167036786
3-[ethyl(3-methylbut-3-enyl)amino]propanenitrile
CID 114449033
2,2-dimethyl-N'-(3-phenoxypropyl)-N'-propylpropane-1,3-diamine
CID 79662075
N'-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine
CID 80606650
2,2-dimethyl-N'-propyl-N'-(2-thiophen-2-ylethyl)propane-1,3-diamine
CID 79661594

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N'-(3-methylbut-3-enyl)-N'-propylpropane-1,3-diamine?
The IUPAC name of 2,2-dimethyl-N'-(3-methylbut-3-enyl)-N'-propylpropane-1,3-diamine (CID 114473392) is 2,2-dimethyl-N'-(3-methylbut-3-enyl)-N'-propylpropane-1,3-diamine.
What is the SMILES notation for 2,2-dimethyl-N'-(3-methylbut-3-enyl)-N'-propylpropane-1,3-diamine?
The canonical SMILES for 2,2-dimethyl-N'-(3-methylbut-3-enyl)-N'-propylpropane-1,3-diamine is C=C(C)CCN(CCC)CC(C)(C)CN.
What is the InChIKey of 2,2-dimethyl-N'-(3-methylbut-3-enyl)-N'-propylpropane-1,3-diamine?
The InChIKey is ZAUJEYXQWDMFEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-6-8-15(9-7-12(2)3)11-13(4,5)10-14/h2,6-11,14H2,1,3-5H3.
What are the key properties of 2,2-dimethyl-N'-(3-methylbut-3-enyl)-N'-propylpropane-1,3-diamine?
2,2-dimethyl-N'-(3-methylbut-3-enyl)-N'-propylpropane-1,3-diamine has a molecular weight of 212.38 g/mol, XLogP of 2.65, 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'-(3-methylbut-3-enyl)-N'-propylpropane-1,3-diamine is sourced from PubChem (CID 114473392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).