(2S)-1-N,2-N,2-N-triethylpropane-1,2-diamine

C9H22N2 — CID 97170093

IUPAC(2S)-1-N,2-N,2-N-triethylpropane-1,2-diamine
SMILESCCNC[C@H](C)N(CC)CC
InChIInChI=1S/C9H22N2/c1-5-10-8-9(4)11(6-2)7-3/h9-10H,5-8H2,1-4H3/t9-/m0/s1
InChIKeyAPEFLKWFOPEUJI-VIFPVBQESA-N
MW158.29 g/mol
LogP1.33
Rot. Bonds6

About (2S)-1-N,2-N,2-N-triethylpropane-1,2-diamine

(2S)-1-N,2-N,2-N-triethylpropane-1,2-diamine (PubChem CID 97170093) has the molecular formula C9H22N2 and a molecular weight of 158.29 g/mol. Its IUPAC name is (2S)-1-N,2-N,2-N-triethylpropane-1,2-diamine.

Molecular Properties

Compound Name(2S)-1-N,2-N,2-N-triethylpropane-1,2-diamine
PubChem CID97170093
Molecular FormulaC9H22N2
Molecular Weight158.29 g/mol
Exact Mass158.18
IUPAC Name(2S)-1-N,2-N,2-N-triethylpropane-1,2-diamine
SMILESCCNC[C@H](C)N(CC)CC
InChIInChI=1S/C9H22N2/c1-5-10-8-9(4)11(6-2)7-3/h9-10H,5-8H2,1-4H3/t9-/m0/s1
InChIKeyAPEFLKWFOPEUJI-VIFPVBQESA-N
XLogP1.33
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.29
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N,2-N,2-N-triethylpropane-1,2-diamine
CID 18364429
3-(diethylamino)-4-(ethylamino)butan-2-ol
CID 121467548
2-N,2-N-diethyl-1-N-prop-2-enylpropane-1,2-diamine
CID 62557121
2-N,2-N-diethyl-1-N-propan-2-ylpropane-1,2-diamine
CID 62438662
1-N,2-N,2-N-triethylpentane-1,2-diamine
CID 83043312
1-N,2-N-diethyl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 62463458
2-N-[3-(diethylamino)propyl]-1-N,2-N-diethyl-3-methylbutane-1,2-diamine
CID 102997714
2-N,2-N,5-N,5-N-tetraethylhexane-2,5-diamine
CID 87407207
1-N,3-N-diethyl-3-N,2-dimethylbutane-1,3-diamine
CID 81011772
1-N-ethyl-2-N-propan-2-yl-2-N-propylpropane-1,2-diamine
CID 62421254
N,N'-diethyl-N'-pentan-2-ylmethanediamine
CID 156888223
2-N-butyl-1-N,2-N-diethylpentane-1,2-diamine
CID 83043720

Frequently Asked Questions

What is the IUPAC name of (2S)-1-N,2-N,2-N-triethylpropane-1,2-diamine?
The IUPAC name of (2S)-1-N,2-N,2-N-triethylpropane-1,2-diamine (CID 97170093) is (2S)-1-N,2-N,2-N-triethylpropane-1,2-diamine.
What is the SMILES notation for (2S)-1-N,2-N,2-N-triethylpropane-1,2-diamine?
The canonical SMILES for (2S)-1-N,2-N,2-N-triethylpropane-1,2-diamine is CCNC[C@H](C)N(CC)CC.
What is the InChIKey of (2S)-1-N,2-N,2-N-triethylpropane-1,2-diamine?
The InChIKey is APEFLKWFOPEUJI-VIFPVBQESA-N. The full InChI is InChI=1S/C9H22N2/c1-5-10-8-9(4)11(6-2)7-3/h9-10H,5-8H2,1-4H3/t9-/m0/s1.
What are the key properties of (2S)-1-N,2-N,2-N-triethylpropane-1,2-diamine?
(2S)-1-N,2-N,2-N-triethylpropane-1,2-diamine has a molecular weight of 158.29 g/mol, XLogP of 1.33, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-N,2-N,2-N-triethylpropane-1,2-diamine is sourced from PubChem (CID 97170093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).