[[(2R)-1-(ethylamino)propan-2-yl]amino]methyl hypochlorite

C6H15ClN2O — CID 147260578

IUPAC[[(2R)-1-(ethylamino)propan-2-yl]amino]methyl hypochlorite
SMILESCCNC[C@@H](C)NCOCl
InChIInChI=1S/C6H15ClN2O/c1-3-8-4-6(2)9-5-10-7/h6,8-9H,3-5H2,1-2H3/t6-/m1/s1
InChIKeyCOLZEMWASPCSKV-ZCFIWIBFSA-N
MW166.65 g/mol
LogP0.70
Rot. Bonds6

About [[(2R)-1-(ethylamino)propan-2-yl]amino]methyl hypochlorite

[[(2R)-1-(ethylamino)propan-2-yl]amino]methyl hypochlorite (PubChem CID 147260578) has the molecular formula C6H15ClN2O and a molecular weight of 166.65 g/mol. Its IUPAC name is [[(2R)-1-(ethylamino)propan-2-yl]amino]methyl hypochlorite.

Molecular Properties

Compound Name[[(2R)-1-(ethylamino)propan-2-yl]amino]methyl hypochlorite
PubChem CID147260578
Molecular FormulaC6H15ClN2O
Molecular Weight166.65 g/mol
Exact Mass166.09
IUPAC Name[[(2R)-1-(ethylamino)propan-2-yl]amino]methyl hypochlorite
SMILESCCNC[C@@H](C)NCOCl
InChIInChI=1S/C6H15ClN2O/c1-3-8-4-6(2)9-5-10-7/h6,8-9H,3-5H2,1-2H3/t6-/m1/s1
InChIKeyCOLZEMWASPCSKV-ZCFIWIBFSA-N
XLogP0.70
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.65
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-N-ethyl-2-N-propylpropane-1,2-diamine
CID 62569562
3-[1-(ethylamino)propan-2-ylamino]-2-[2-(ethylamino)propylamino]propane-1-thiol
CID 142296449
1-N-ethyl-2-N-pent-4-enylpropane-1,2-diamine
CID 116674130
1-N-(cyclopropylmethyl)-2-N-ethylpropane-1,2-diamine
CID 123270508
1-N-ethyl-2-N-(pyridazin-4-ylmethyl)propane-1,2-diamine
CID 104670189
(2S)-1-N,2-N,2-N-triethylpropane-1,2-diamine
CID 97170093
1-N,2-N,2-N-triethylpropane-1,2-diamine
CID 18364429
1-N,5-N-diethyl-2-methylhexane-1,5-diamine
CID 129202816
2-N-[(3-bromo-2-pyridinyl)methyl]-1-N-ethylpropane-1,2-diamine
CID 107517375
3-(diethylamino)-4-(ethylamino)butan-2-ol
CID 121467548
N-ethyl-3-methyl-2-phenylpentan-1-amine
CID 43163708
3-(ethylamino)-2-[2-[[2-(ethylamino)-3-sulfanylpropyl]amino]propylamino]propane-1-thiol
CID 139308821

Frequently Asked Questions

What is the IUPAC name of [[(2R)-1-(ethylamino)propan-2-yl]amino]methyl hypochlorite?
The IUPAC name of [[(2R)-1-(ethylamino)propan-2-yl]amino]methyl hypochlorite (CID 147260578) is [[(2R)-1-(ethylamino)propan-2-yl]amino]methyl hypochlorite.
What is the SMILES notation for [[(2R)-1-(ethylamino)propan-2-yl]amino]methyl hypochlorite?
The canonical SMILES for [[(2R)-1-(ethylamino)propan-2-yl]amino]methyl hypochlorite is CCNC[C@@H](C)NCOCl.
What is the InChIKey of [[(2R)-1-(ethylamino)propan-2-yl]amino]methyl hypochlorite?
The InChIKey is COLZEMWASPCSKV-ZCFIWIBFSA-N. The full InChI is InChI=1S/C6H15ClN2O/c1-3-8-4-6(2)9-5-10-7/h6,8-9H,3-5H2,1-2H3/t6-/m1/s1.
What are the key properties of [[(2R)-1-(ethylamino)propan-2-yl]amino]methyl hypochlorite?
[[(2R)-1-(ethylamino)propan-2-yl]amino]methyl hypochlorite has a molecular weight of 166.65 g/mol, XLogP of 0.70, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [[(2R)-1-(ethylamino)propan-2-yl]amino]methyl hypochlorite is sourced from PubChem (CID 147260578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).