(2S)-2-N-[(2,2-dichlorocyclopropyl)methyl]propane-1,2-diamine

C7H14Cl2N2 — CID 104867595

IUPAC(2S)-2-N-[(2,2-dichlorocyclopropyl)methyl]propane-1,2-diamine
SMILESC[C@@H](CN)NCC1CC1(Cl)Cl
InChIInChI=1S/C7H14Cl2N2/c1-5(3-10)11-4-6-2-7(6,8)9/h5-6,11H,2-4,10H2,1H3/t5-,6?/m0/s1
InChIKeyXRGOYDDOOLUCOK-ZBHICJROSA-N
MW197.11 g/mol
LogP1.12
Rot. Bonds4

About (2S)-2-N-[(2,2-dichlorocyclopropyl)methyl]propane-1,2-diamine

(2S)-2-N-[(2,2-dichlorocyclopropyl)methyl]propane-1,2-diamine (PubChem CID 104867595) has the molecular formula C7H14Cl2N2 and a molecular weight of 197.11 g/mol. Its IUPAC name is (2S)-2-N-[(2,2-dichlorocyclopropyl)methyl]propane-1,2-diamine.

Molecular Properties

Compound Name(2S)-2-N-[(2,2-dichlorocyclopropyl)methyl]propane-1,2-diamine
PubChem CID104867595
Molecular FormulaC7H14Cl2N2
Molecular Weight197.11 g/mol
Exact Mass196.05
IUPAC Name(2S)-2-N-[(2,2-dichlorocyclopropyl)methyl]propane-1,2-diamine
SMILESC[C@@H](CN)NCC1CC1(Cl)Cl
InChIInChI=1S/C7H14Cl2N2/c1-5(3-10)11-4-6-2-7(6,8)9/h5-6,11H,2-4,10H2,1H3/t5-,6?/m0/s1
InChIKeyXRGOYDDOOLUCOK-ZBHICJROSA-N
XLogP1.12
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.11
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-N-[(4,4-difluorocyclohexyl)methyl]propane-1,2-diamine
CID 104867709
2-N-[(4-ethylcyclohexyl)methyl]propane-1,2-diamine
CID 103389347
(2S)-2-N-(7-bicyclo[4.1.0]heptanylmethyl)propane-1,2-diamine
CID 104867892
(2S)-2-N-(1-adamantylmethyl)propane-1,2-diamine
CID 104867855
2-N-(thian-4-ylmethyl)propane-1,2-diamine
CID 103391033
1-(2,2-dichlorocyclopropyl)-N-(2-fluoroethyl)ethanamine
CID 131212065
(2S)-2-N-[(2-methyloxolan-3-yl)methyl]propane-1,2-diamine
CID 104867499
2-N-[[4-[(2-aminopropylamino)methyl]cyclohexyl]methyl]propane-1,2-diamine
CID 118876014
(2R)-2-N-[(3-methyloxolan-2-yl)methyl]propane-1,2-diamine
CID 104868012
(2R)-2-N-(thian-2-ylmethyl)propane-1,2-diamine
CID 104867949
(2S)-2-N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylmethyl)propane-1,2-diamine
CID 104867674
N-[(2,2-dichlorocyclopropyl)methyl]acetamide
CID 131042043

Frequently Asked Questions

What is the IUPAC name of (2S)-2-N-[(2,2-dichlorocyclopropyl)methyl]propane-1,2-diamine?
The IUPAC name of (2S)-2-N-[(2,2-dichlorocyclopropyl)methyl]propane-1,2-diamine (CID 104867595) is (2S)-2-N-[(2,2-dichlorocyclopropyl)methyl]propane-1,2-diamine.
What is the SMILES notation for (2S)-2-N-[(2,2-dichlorocyclopropyl)methyl]propane-1,2-diamine?
The canonical SMILES for (2S)-2-N-[(2,2-dichlorocyclopropyl)methyl]propane-1,2-diamine is C[C@@H](CN)NCC1CC1(Cl)Cl.
What is the InChIKey of (2S)-2-N-[(2,2-dichlorocyclopropyl)methyl]propane-1,2-diamine?
The InChIKey is XRGOYDDOOLUCOK-ZBHICJROSA-N. The full InChI is InChI=1S/C7H14Cl2N2/c1-5(3-10)11-4-6-2-7(6,8)9/h5-6,11H,2-4,10H2,1H3/t5-,6?/m0/s1.
What are the key properties of (2S)-2-N-[(2,2-dichlorocyclopropyl)methyl]propane-1,2-diamine?
(2S)-2-N-[(2,2-dichlorocyclopropyl)methyl]propane-1,2-diamine has a molecular weight of 197.11 g/mol, XLogP of 1.12, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-N-[(2,2-dichlorocyclopropyl)methyl]propane-1,2-diamine is sourced from PubChem (CID 104867595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).