N'-[2-(dimethylamino)ethyl]-N-(3-methylbutan-2-yl)-N'-propylethane-1,2-diamine

C14H33N3 — CID 55089009

IUPACN'-[2-(dimethylamino)ethyl]-N-(3-methylbutan-2-yl)-N'-propylethane-1,2-diamine
SMILESCCCN(CCNC(C)C(C)C)CCN(C)C
InChIInChI=1S/C14H33N3/c1-7-9-17(12-11-16(5)6)10-8-15-14(4)13(2)3/h13-15H,7-12H2,1-6H3
InChIKeyJUVFNJLEJAFLPT-UHFFFAOYSA-N
MW243.44 g/mol
LogP1.89
Rot. Bonds10

About N'-[2-(dimethylamino)ethyl]-N-(3-methylbutan-2-yl)-N'-propylethane-1,2-diamine

N'-[2-(dimethylamino)ethyl]-N-(3-methylbutan-2-yl)-N'-propylethane-1,2-diamine (PubChem CID 55089009) has the molecular formula C14H33N3 and a molecular weight of 243.44 g/mol. Its IUPAC name is N'-[2-(dimethylamino)ethyl]-N-(3-methylbutan-2-yl)-N'-propylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-(dimethylamino)ethyl]-N-(3-methylbutan-2-yl)-N'-propylethane-1,2-diamine
PubChem CID55089009
Molecular FormulaC14H33N3
Molecular Weight243.44 g/mol
Exact Mass243.27
IUPAC NameN'-[2-(dimethylamino)ethyl]-N-(3-methylbutan-2-yl)-N'-propylethane-1,2-diamine
SMILESCCCN(CCNC(C)C(C)C)CCN(C)C
InChIInChI=1S/C14H33N3/c1-7-9-17(12-11-16(5)6)10-8-15-14(4)13(2)3/h13-15H,7-12H2,1-6H3
InChIKeyJUVFNJLEJAFLPT-UHFFFAOYSA-N
XLogP1.89
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.44
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-ethyl-N,N-dimethyl-N'-[2-(3-methylbutan-2-ylamino)ethyl]propane-1,3-diamine
CID 102997818
N'-[2-(dimethylamino)ethyl]-N'-methyl-N-(3-methylbutan-2-yl)ethane-1,2-diamine
CID 63725314
N-butan-2-yl-N',N'-dipropylethane-1,2-diamine
CID 54809596
N,N,N'-triethyl-N'-[2-(3-methylbutan-2-ylamino)ethyl]propane-1,3-diamine
CID 102997904
N'-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)-N'-propylpropane-1,3-diamine
CID 62436876
N'-[2-(dimethylamino)ethyl]-N'-(2-methylpropyl)-N-pentan-3-ylethane-1,2-diamine
CID 55089675
N'-[2-(dimethylamino)ethyl]-N-(2-methoxyethyl)-N'-propylethane-1,2-diamine
CID 62574418
N-(5-methylhexan-2-yl)-N',N'-dipropylethane-1,2-diamine
CID 62574843
N'-[2-(dimethylamino)ethyl]-N-heptan-2-yl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 62555157
4-[2-(dimethylamino)ethyl-propylamino]-2-(ethylamino)butan-1-ol
CID 64789571
N'-[2-(dimethylamino)ethyl]-2-methyl-N'-propylbutane-1,4-diamine
CID 81080602
N'-[2-(dimethylamino)ethyl]-N,N'-dipropylbutane-1,4-diamine
CID 62436376

Frequently Asked Questions

What is the IUPAC name of N'-[2-(dimethylamino)ethyl]-N-(3-methylbutan-2-yl)-N'-propylethane-1,2-diamine?
The IUPAC name of N'-[2-(dimethylamino)ethyl]-N-(3-methylbutan-2-yl)-N'-propylethane-1,2-diamine (CID 55089009) is N'-[2-(dimethylamino)ethyl]-N-(3-methylbutan-2-yl)-N'-propylethane-1,2-diamine.
What is the SMILES notation for N'-[2-(dimethylamino)ethyl]-N-(3-methylbutan-2-yl)-N'-propylethane-1,2-diamine?
The canonical SMILES for N'-[2-(dimethylamino)ethyl]-N-(3-methylbutan-2-yl)-N'-propylethane-1,2-diamine is CCCN(CCNC(C)C(C)C)CCN(C)C.
What is the InChIKey of N'-[2-(dimethylamino)ethyl]-N-(3-methylbutan-2-yl)-N'-propylethane-1,2-diamine?
The InChIKey is JUVFNJLEJAFLPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H33N3/c1-7-9-17(12-11-16(5)6)10-8-15-14(4)13(2)3/h13-15H,7-12H2,1-6H3.
What are the key properties of N'-[2-(dimethylamino)ethyl]-N-(3-methylbutan-2-yl)-N'-propylethane-1,2-diamine?
N'-[2-(dimethylamino)ethyl]-N-(3-methylbutan-2-yl)-N'-propylethane-1,2-diamine has a molecular weight of 243.44 g/mol, XLogP of 1.89, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(dimethylamino)ethyl]-N-(3-methylbutan-2-yl)-N'-propylethane-1,2-diamine is sourced from PubChem (CID 55089009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).