3-N-(2-aminoethyl)-3-N-ethyl-2,2,3-trimethyl-1-N-propan-2-ylbutane-1,3-diamine

C14H33N3 — CID 130206595

IUPAC3-N-(2-aminoethyl)-3-N-ethyl-2,2,3-trimethyl-1-N-propan-2-ylbutane-1,3-diamine
SMILESCCN(CCN)C(C)(C)C(C)(C)CNC(C)C
InChIInChI=1S/C14H33N3/c1-8-17(10-9-15)14(6,7)13(4,5)11-16-12(2)3/h12,16H,8-11,15H2,1-7H3
InChIKeyLSLBYSRNUMTCID-UHFFFAOYSA-N
MW243.44 g/mol
LogP2.07
Rot. Bonds8

About 3-N-(2-aminoethyl)-3-N-ethyl-2,2,3-trimethyl-1-N-propan-2-ylbutane-1,3-diamine

3-N-(2-aminoethyl)-3-N-ethyl-2,2,3-trimethyl-1-N-propan-2-ylbutane-1,3-diamine (PubChem CID 130206595) has the molecular formula C14H33N3 and a molecular weight of 243.44 g/mol. Its IUPAC name is 3-N-(2-aminoethyl)-3-N-ethyl-2,2,3-trimethyl-1-N-propan-2-ylbutane-1,3-diamine.

Molecular Properties

Compound Name3-N-(2-aminoethyl)-3-N-ethyl-2,2,3-trimethyl-1-N-propan-2-ylbutane-1,3-diamine
PubChem CID130206595
Molecular FormulaC14H33N3
Molecular Weight243.44 g/mol
Exact Mass243.27
IUPAC Name3-N-(2-aminoethyl)-3-N-ethyl-2,2,3-trimethyl-1-N-propan-2-ylbutane-1,3-diamine
SMILESCCN(CCN)C(C)(C)C(C)(C)CNC(C)C
InChIInChI=1S/C14H33N3/c1-8-17(10-9-15)14(6,7)13(4,5)11-16-12(2)3/h12,16H,8-11,15H2,1-7H3
InChIKeyLSLBYSRNUMTCID-UHFFFAOYSA-N
XLogP2.07
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.44
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-N-(2-aminoethyl)-3-N-ethyl-2,2,3-trimethyl-1-N-propan-2-ylbutane-1,3-diamine with MolForge

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Related Compounds

2-[2-aminoethyl(ethyl)amino]-2-methylpropanoic acid
CID 63652155
4-N-(2-aminoethyl)-1-N-butan-2-yl-4-N-butyl-3-ethyl-4-methylhexane-1,4-diamine
CID 88952934
2-N-tert-butyl-2-N-ethylpropane-1,2-diamine
CID 131224561
(2R)-2-N-(2,2-dimethylpropyl)propane-1,2-diamine
CID 104868190
2-ethyl-2-methyl-N,N-bis(3-methylbutyl)-N'-propan-2-ylpropane-1,3-diamine
CID 107871143
2-N-butyl-2-N-ethyl-2,3-dimethylbutane-1,2-diamine
CID 60710048
1-[ethyl(methyl)amino]-2-methyl-3-(propan-2-ylamino)propan-2-ol
CID 66335154
2-[[2-aminoethyl(ethyl)amino]-ethylamino]ethanamine
CID 56997319
2,3-dimethylbutane;N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 87486817
N',N'-bis(propan-2-ylamino)ethane-1,2-diamine
CID 154306769
2-methyl-2-N-propan-2-ylbutane-1,2-diamine
CID 62066789
2-methyl-N-propan-2-yl-2-propylpentan-1-amine
CID 62725026

Frequently Asked Questions

What is the IUPAC name of 3-N-(2-aminoethyl)-3-N-ethyl-2,2,3-trimethyl-1-N-propan-2-ylbutane-1,3-diamine?
The IUPAC name of 3-N-(2-aminoethyl)-3-N-ethyl-2,2,3-trimethyl-1-N-propan-2-ylbutane-1,3-diamine (CID 130206595) is 3-N-(2-aminoethyl)-3-N-ethyl-2,2,3-trimethyl-1-N-propan-2-ylbutane-1,3-diamine.
What is the SMILES notation for 3-N-(2-aminoethyl)-3-N-ethyl-2,2,3-trimethyl-1-N-propan-2-ylbutane-1,3-diamine?
The canonical SMILES for 3-N-(2-aminoethyl)-3-N-ethyl-2,2,3-trimethyl-1-N-propan-2-ylbutane-1,3-diamine is CCN(CCN)C(C)(C)C(C)(C)CNC(C)C.
What is the InChIKey of 3-N-(2-aminoethyl)-3-N-ethyl-2,2,3-trimethyl-1-N-propan-2-ylbutane-1,3-diamine?
The InChIKey is LSLBYSRNUMTCID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H33N3/c1-8-17(10-9-15)14(6,7)13(4,5)11-16-12(2)3/h12,16H,8-11,15H2,1-7H3.
What are the key properties of 3-N-(2-aminoethyl)-3-N-ethyl-2,2,3-trimethyl-1-N-propan-2-ylbutane-1,3-diamine?
3-N-(2-aminoethyl)-3-N-ethyl-2,2,3-trimethyl-1-N-propan-2-ylbutane-1,3-diamine has a molecular weight of 243.44 g/mol, XLogP of 2.07, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2-aminoethyl)-3-N-ethyl-2,2,3-trimethyl-1-N-propan-2-ylbutane-1,3-diamine is sourced from PubChem (CID 130206595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).