N'-ethyl-N,N-dimethyl-N'-[2-(propan-2-ylamino)ethyl]propane-1,3-diamine

C12H29N3 — CID 114525572

IUPACN'-ethyl-N,N-dimethyl-N'-[2-(propan-2-ylamino)ethyl]propane-1,3-diamine
SMILESCCN(CCCN(C)C)CCNC(C)C
InChIInChI=1S/C12H29N3/c1-6-15(10-7-9-14(4)5)11-8-13-12(2)3/h12-13H,6-11H2,1-5H3
InChIKeyBKJXESMMBSCOAR-UHFFFAOYSA-N
MW215.38 g/mol
LogP1.26
Rot. Bonds9

About N'-ethyl-N,N-dimethyl-N'-[2-(propan-2-ylamino)ethyl]propane-1,3-diamine

N'-ethyl-N,N-dimethyl-N'-[2-(propan-2-ylamino)ethyl]propane-1,3-diamine (PubChem CID 114525572) has the molecular formula C12H29N3 and a molecular weight of 215.38 g/mol. Its IUPAC name is N'-ethyl-N,N-dimethyl-N'-[2-(propan-2-ylamino)ethyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-ethyl-N,N-dimethyl-N'-[2-(propan-2-ylamino)ethyl]propane-1,3-diamine
PubChem CID114525572
Molecular FormulaC12H29N3
Molecular Weight215.38 g/mol
Exact Mass215.24
IUPAC NameN'-ethyl-N,N-dimethyl-N'-[2-(propan-2-ylamino)ethyl]propane-1,3-diamine
SMILESCCN(CCCN(C)C)CCNC(C)C
InChIInChI=1S/C12H29N3/c1-6-15(10-7-9-14(4)5)11-8-13-12(2)3/h12-13H,6-11H2,1-5H3
InChIKeyBKJXESMMBSCOAR-UHFFFAOYSA-N
XLogP1.26
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.38
LogP ≤ 51.26
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'-ethyl-N,N-dimethyl-N'-[2-(5-methylhexan-2-ylamino)ethyl]propane-1,3-diamine
CID 102997759
N'-dodecyl-N'-ethyl-N-propan-2-ylethane-1,2-diamine
CID 63528013
N'-butyl-N'-ethyl-N-propan-2-ylpropane-1,3-diamine
CID 60853451
N,N,N'-triethyl-N'-[2-(3-methylbutan-2-ylamino)ethyl]propane-1,3-diamine
CID 102997904
N'-[3-[di(propan-2-yl)amino]propyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 178016346
N',N'-dimethyl-N-propan-2-ylethane-1,2-diamine;molecular hydrogen
CID 145190713
N'-ethyl-N,N-dimethyl-N'-[[4-[(propan-2-ylamino)methyl]phenyl]methyl]propane-1,3-diamine
CID 102997517
N'-ethyl-N,N-dimethyl-N'-[[1-[(propan-2-ylamino)methyl]cyclopentyl]methyl]propane-1,3-diamine
CID 102997141
N'-[3-(dimethylamino)propyl]-N'-ethyl-N-methylhexane-1,6-diamine
CID 102997503
N-[3-(dimethylamino)propyl]-N-ethyl-3-(propan-2-ylamino)propane-1-sulfonamide
CID 102994809
4-N-[2-(diethylamino)ethyl]-1-N,1-N-diethylpentane-1,4-diamine
CID 43199211

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N,N-dimethyl-N'-[2-(propan-2-ylamino)ethyl]propane-1,3-diamine?
The IUPAC name of N'-ethyl-N,N-dimethyl-N'-[2-(propan-2-ylamino)ethyl]propane-1,3-diamine (CID 114525572) is N'-ethyl-N,N-dimethyl-N'-[2-(propan-2-ylamino)ethyl]propane-1,3-diamine.
What is the SMILES notation for N'-ethyl-N,N-dimethyl-N'-[2-(propan-2-ylamino)ethyl]propane-1,3-diamine?
The canonical SMILES for N'-ethyl-N,N-dimethyl-N'-[2-(propan-2-ylamino)ethyl]propane-1,3-diamine is CCN(CCCN(C)C)CCNC(C)C.
What is the InChIKey of N'-ethyl-N,N-dimethyl-N'-[2-(propan-2-ylamino)ethyl]propane-1,3-diamine?
The InChIKey is BKJXESMMBSCOAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H29N3/c1-6-15(10-7-9-14(4)5)11-8-13-12(2)3/h12-13H,6-11H2,1-5H3.
What are the key properties of N'-ethyl-N,N-dimethyl-N'-[2-(propan-2-ylamino)ethyl]propane-1,3-diamine?
N'-ethyl-N,N-dimethyl-N'-[2-(propan-2-ylamino)ethyl]propane-1,3-diamine has a molecular weight of 215.38 g/mol, XLogP of 1.26, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N,N-dimethyl-N'-[2-(propan-2-ylamino)ethyl]propane-1,3-diamine is sourced from PubChem (CID 114525572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).