N,N,N'-triethyl-N'-[2-(3-methylbutan-2-ylamino)ethyl]propane-1,3-diamine

C16H37N3 — CID 102997904

IUPACN,N,N'-triethyl-N'-[2-(3-methylbutan-2-ylamino)ethyl]propane-1,3-diamine
SMILESCCN(CC)CCCN(CC)CCNC(C)C(C)C
InChIInChI=1S/C16H37N3/c1-7-18(8-2)12-10-13-19(9-3)14-11-17-16(6)15(4)5/h15-17H,7-14H2,1-6H3
InChIKeyPFIVZVGBUQRLLQ-UHFFFAOYSA-N
MW271.49 g/mol
LogP2.67
Rot. Bonds12

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

N,N,N'-triethyl-N'-[2-(3-methylbutan-2-ylamino)ethyl]propane-1,3-diamine (PubChem CID 102997904) has the molecular formula C16H37N3 and a molecular weight of 271.49 g/mol. Its IUPAC name is N,N,N'-triethyl-N'-[2-(3-methylbutan-2-ylamino)ethyl]propane-1,3-diamine.

Molecular Properties

Compound NameN,N,N'-triethyl-N'-[2-(3-methylbutan-2-ylamino)ethyl]propane-1,3-diamine
PubChem CID102997904
Molecular FormulaC16H37N3
Molecular Weight271.49 g/mol
Exact Mass271.30
IUPAC NameN,N,N'-triethyl-N'-[2-(3-methylbutan-2-ylamino)ethyl]propane-1,3-diamine
SMILESCCN(CC)CCCN(CC)CCNC(C)C(C)C
InChIInChI=1S/C16H37N3/c1-7-18(8-2)12-10-13-19(9-3)14-11-17-16(6)15(4)5/h15-17H,7-14H2,1-6H3
InChIKeyPFIVZVGBUQRLLQ-UHFFFAOYSA-N
XLogP2.67
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.49
LogP ≤ 52.67
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-(propan-2-ylamino)ethyl]propane-1,3-diamine
CID 114525572
4-N-[2-(diethylamino)ethyl]-1-N,1-N-diethylpentane-1,4-diamine
CID 43199211
N'-dodecyl-N'-ethyl-N-propan-2-ylethane-1,2-diamine
CID 63528013
3-N-[3-(diethylamino)propyl]-3-N-ethyl-2-N-propylbutane-2,3-diamine
CID 102992540
2-N,4-N-bis[2-(diethylamino)ethyl]pentane-2,4-diamine
CID 5239027
N'-butyl-N'-ethyl-N-propan-2-ylpropane-1,3-diamine
CID 60853451
N'-[2-(dimethylamino)ethyl]-N-(3-methylbutan-2-yl)-N'-propylethane-1,2-diamine
CID 55089009
N'-ethyl-N,N-dimethyl-N'-[2-(5-methylhexan-2-ylamino)ethyl]propane-1,3-diamine
CID 102997759
2-N-[2-(diethylamino)ethyl]-3-methylbutane-1,2-diamine
CID 65385472
N',N'-diethyl-N-(3-methyl-2-propan-2-ylbutyl)ethane-1,2-diamine
CID 102905428
N-(1-chloro-4-methylpentan-3-yl)-N',N'-diethylethane-1,2-diamine
CID 106353902

Frequently Asked Questions

What is the IUPAC name of N,N,N'-triethyl-N'-[2-(3-methylbutan-2-ylamino)ethyl]propane-1,3-diamine?
The IUPAC name of N,N,N'-triethyl-N'-[2-(3-methylbutan-2-ylamino)ethyl]propane-1,3-diamine (CID 102997904) is N,N,N'-triethyl-N'-[2-(3-methylbutan-2-ylamino)ethyl]propane-1,3-diamine.
What is the SMILES notation for N,N,N'-triethyl-N'-[2-(3-methylbutan-2-ylamino)ethyl]propane-1,3-diamine?
The canonical SMILES for N,N,N'-triethyl-N'-[2-(3-methylbutan-2-ylamino)ethyl]propane-1,3-diamine is CCN(CC)CCCN(CC)CCNC(C)C(C)C.
What is the InChIKey of N,N,N'-triethyl-N'-[2-(3-methylbutan-2-ylamino)ethyl]propane-1,3-diamine?
The InChIKey is PFIVZVGBUQRLLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H37N3/c1-7-18(8-2)12-10-13-19(9-3)14-11-17-16(6)15(4)5/h15-17H,7-14H2,1-6H3.
What are the key properties of N,N,N'-triethyl-N'-[2-(3-methylbutan-2-ylamino)ethyl]propane-1,3-diamine?
N,N,N'-triethyl-N'-[2-(3-methylbutan-2-ylamino)ethyl]propane-1,3-diamine has a molecular weight of 271.49 g/mol, XLogP of 2.67, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,N'-triethyl-N'-[2-(3-methylbutan-2-ylamino)ethyl]propane-1,3-diamine is sourced from PubChem (CID 102997904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).