2-chloro-N-(oxolan-3-ylmethyl)propan-1-amine

C8H16ClNO — CID 65024238

IUPAC2-chloro-N-(oxolan-3-ylmethyl)propan-1-amine
SMILESCC(Cl)CNCC1CCOC1
InChIInChI=1S/C8H16ClNO/c1-7(9)4-10-5-8-2-3-11-6-8/h7-8,10H,2-6H2,1H3
InChIKeyDKEXKEWADAJCEU-UHFFFAOYSA-N
MW177.67 g/mol
LogP1.24
Rot. Bonds4

About 2-chloro-N-(oxolan-3-ylmethyl)propan-1-amine

2-chloro-N-(oxolan-3-ylmethyl)propan-1-amine (PubChem CID 65024238) has the molecular formula C8H16ClNO and a molecular weight of 177.67 g/mol. Its IUPAC name is 2-chloro-N-(oxolan-3-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name2-chloro-N-(oxolan-3-ylmethyl)propan-1-amine
PubChem CID65024238
Molecular FormulaC8H16ClNO
Molecular Weight177.67 g/mol
Exact Mass177.09
IUPAC Name2-chloro-N-(oxolan-3-ylmethyl)propan-1-amine
SMILESCC(Cl)CNCC1CCOC1
InChIInChI=1S/C8H16ClNO/c1-7(9)4-10-5-8-2-3-11-6-8/h7-8,10H,2-6H2,1H3
InChIKeyDKEXKEWADAJCEU-UHFFFAOYSA-N
XLogP1.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.67
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-(oxolan-3-ylmethyl)butan-1-amine
CID 60919551
2-methyl-3-methylsulfanyl-N-(oxolan-3-ylmethyl)propan-1-amine
CID 63982996
4-methyl-5-(oxolan-3-ylmethylamino)pentan-2-ol
CID 115887655
2,2-dimethoxy-N-(oxolan-3-ylmethyl)ethanamine
CID 60815560
2-N,2-N,3-trimethyl-1-N-(oxolan-3-ylmethyl)butane-1,2-diamine
CID 43205527
3,3-dimethyl-1-(oxolan-3-ylmethylamino)butan-2-ol
CID 115887516
2,2-diethoxy-N-(oxolan-3-ylmethyl)ethanamine
CID 79548553
methyl 2-bromo-3-(oxolan-3-ylmethylamino)propanoate
CID 103242537
N-(oxolan-3-ylmethyl)-N'-propan-2-ylethane-1,2-diamine
CID 62560137
2-methoxy-3,3-dimethyl-N-(oxolan-3-ylmethyl)butan-1-amine
CID 115887779
2-chloro-N-(cyclopentylmethyl)propan-1-amine
CID 65024059
2-chloro-N-(cyclobutylmethyl)propan-1-amine
CID 65460459

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(oxolan-3-ylmethyl)propan-1-amine?
The IUPAC name of 2-chloro-N-(oxolan-3-ylmethyl)propan-1-amine (CID 65024238) is 2-chloro-N-(oxolan-3-ylmethyl)propan-1-amine.
What is the SMILES notation for 2-chloro-N-(oxolan-3-ylmethyl)propan-1-amine?
The canonical SMILES for 2-chloro-N-(oxolan-3-ylmethyl)propan-1-amine is CC(Cl)CNCC1CCOC1.
What is the InChIKey of 2-chloro-N-(oxolan-3-ylmethyl)propan-1-amine?
The InChIKey is DKEXKEWADAJCEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16ClNO/c1-7(9)4-10-5-8-2-3-11-6-8/h7-8,10H,2-6H2,1H3.
What are the key properties of 2-chloro-N-(oxolan-3-ylmethyl)propan-1-amine?
2-chloro-N-(oxolan-3-ylmethyl)propan-1-amine has a molecular weight of 177.67 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(oxolan-3-ylmethyl)propan-1-amine is sourced from PubChem (CID 65024238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).