2-[chloro-[(1R)-1-cyclopropylpropyl]amino]acetonitrile

C8H13ClN2 — CID 58337897

IUPAC2-[chloro-[(1R)-1-cyclopropylpropyl]amino]acetonitrile
SMILESCC[C@H](C1CC1)N(Cl)CC#N
InChIInChI=1S/C8H13ClN2/c1-2-8(7-3-4-7)11(9)6-5-10/h7-8H,2-4,6H2,1H3/t8-/m1/s1
InChIKeyUSNHLLOLIGGKEA-MRVPVSSYSA-N
MW172.66 g/mol
LogP2.15
Rot. Bonds4

About 2-[chloro-[(1R)-1-cyclopropylpropyl]amino]acetonitrile

2-[chloro-[(1R)-1-cyclopropylpropyl]amino]acetonitrile (PubChem CID 58337897) has the molecular formula C8H13ClN2 and a molecular weight of 172.66 g/mol. Its IUPAC name is 2-[chloro-[(1R)-1-cyclopropylpropyl]amino]acetonitrile.

Molecular Properties

Compound Name2-[chloro-[(1R)-1-cyclopropylpropyl]amino]acetonitrile
PubChem CID58337897
Molecular FormulaC8H13ClN2
Molecular Weight172.66 g/mol
Exact Mass172.08
IUPAC Name2-[chloro-[(1R)-1-cyclopropylpropyl]amino]acetonitrile
SMILESCC[C@H](C1CC1)N(Cl)CC#N
InChIInChI=1S/C8H13ClN2/c1-2-8(7-3-4-7)11(9)6-5-10/h7-8H,2-4,6H2,1H3/t8-/m1/s1
InChIKeyUSNHLLOLIGGKEA-MRVPVSSYSA-N
XLogP2.15
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.66
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[chloro-[(1R)-1-cyclopropylpropyl]amino]acetonitrile?
The IUPAC name of 2-[chloro-[(1R)-1-cyclopropylpropyl]amino]acetonitrile (CID 58337897) is 2-[chloro-[(1R)-1-cyclopropylpropyl]amino]acetonitrile.
What is the SMILES notation for 2-[chloro-[(1R)-1-cyclopropylpropyl]amino]acetonitrile?
The canonical SMILES for 2-[chloro-[(1R)-1-cyclopropylpropyl]amino]acetonitrile is CC[C@H](C1CC1)N(Cl)CC#N.
What is the InChIKey of 2-[chloro-[(1R)-1-cyclopropylpropyl]amino]acetonitrile?
The InChIKey is USNHLLOLIGGKEA-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H13ClN2/c1-2-8(7-3-4-7)11(9)6-5-10/h7-8H,2-4,6H2,1H3/t8-/m1/s1.
What are the key properties of 2-[chloro-[(1R)-1-cyclopropylpropyl]amino]acetonitrile?
2-[chloro-[(1R)-1-cyclopropylpropyl]amino]acetonitrile has a molecular weight of 172.66 g/mol, XLogP of 2.15, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[chloro-[(1R)-1-cyclopropylpropyl]amino]acetonitrile is sourced from PubChem (CID 58337897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).