N-(2-butoxyethyl)-2-chloropropan-1-amine

C9H20ClNO — CID 65023888

IUPACN-(2-butoxyethyl)-2-chloropropan-1-amine
SMILESCCCCOCCNCC(C)Cl
InChIInChI=1S/C9H20ClNO/c1-3-4-6-12-7-5-11-8-9(2)10/h9,11H,3-8H2,1-2H3
InChIKeyAWGKHDSHVPNNFG-UHFFFAOYSA-N
MW193.72 g/mol
LogP2.02
Rot. Bonds8

About N-(2-butoxyethyl)-2-chloropropan-1-amine

N-(2-butoxyethyl)-2-chloropropan-1-amine (PubChem CID 65023888) has the molecular formula C9H20ClNO and a molecular weight of 193.72 g/mol. Its IUPAC name is N-(2-butoxyethyl)-2-chloropropan-1-amine.

Molecular Properties

Compound NameN-(2-butoxyethyl)-2-chloropropan-1-amine
PubChem CID65023888
Molecular FormulaC9H20ClNO
Molecular Weight193.72 g/mol
Exact Mass193.12
IUPAC NameN-(2-butoxyethyl)-2-chloropropan-1-amine
SMILESCCCCOCCNCC(C)Cl
InChIInChI=1S/C9H20ClNO/c1-3-4-6-12-7-5-11-8-9(2)10/h9,11H,3-8H2,1-2H3
InChIKeyAWGKHDSHVPNNFG-UHFFFAOYSA-N
XLogP2.02
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.72
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-butoxyethyl)-2-chloropropan-1-amine?
The IUPAC name of N-(2-butoxyethyl)-2-chloropropan-1-amine (CID 65023888) is N-(2-butoxyethyl)-2-chloropropan-1-amine.
What is the SMILES notation for N-(2-butoxyethyl)-2-chloropropan-1-amine?
The canonical SMILES for N-(2-butoxyethyl)-2-chloropropan-1-amine is CCCCOCCNCC(C)Cl.
What is the InChIKey of N-(2-butoxyethyl)-2-chloropropan-1-amine?
The InChIKey is AWGKHDSHVPNNFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20ClNO/c1-3-4-6-12-7-5-11-8-9(2)10/h9,11H,3-8H2,1-2H3.
What are the key properties of N-(2-butoxyethyl)-2-chloropropan-1-amine?
N-(2-butoxyethyl)-2-chloropropan-1-amine has a molecular weight of 193.72 g/mol, XLogP of 2.02, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butoxyethyl)-2-chloropropan-1-amine is sourced from PubChem (CID 65023888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).