1-chloro-N-[2-(oxolan-2-yl)ethyl]butan-2-amine

C10H20ClNO — CID 65165393

IUPAC1-chloro-N-[2-(oxolan-2-yl)ethyl]butan-2-amine
SMILESCCC(CCl)NCCC1CCCO1
InChIInChI=1S/C10H20ClNO/c1-2-9(8-11)12-6-5-10-4-3-7-13-10/h9-10,12H,2-8H2,1H3
InChIKeyMLXCDUSKBUCBFL-UHFFFAOYSA-N
MW205.73 g/mol
LogP2.16
Rot. Bonds6

About 1-chloro-N-[2-(oxolan-2-yl)ethyl]butan-2-amine

1-chloro-N-[2-(oxolan-2-yl)ethyl]butan-2-amine (PubChem CID 65165393) has the molecular formula C10H20ClNO and a molecular weight of 205.73 g/mol. Its IUPAC name is 1-chloro-N-[2-(oxolan-2-yl)ethyl]butan-2-amine.

Molecular Properties

Compound Name1-chloro-N-[2-(oxolan-2-yl)ethyl]butan-2-amine
PubChem CID65165393
Molecular FormulaC10H20ClNO
Molecular Weight205.73 g/mol
Exact Mass205.12
IUPAC Name1-chloro-N-[2-(oxolan-2-yl)ethyl]butan-2-amine
SMILESCCC(CCl)NCCC1CCCO1
InChIInChI=1S/C10H20ClNO/c1-2-9(8-11)12-6-5-10-4-3-7-13-10/h9-10,12H,2-8H2,1H3
InChIKeyMLXCDUSKBUCBFL-UHFFFAOYSA-N
XLogP2.16
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.73
LogP ≤ 52.16
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

N-[2-(oxolan-2-yl)ethyl]undecan-6-amine
CID 63452863
2-ethyl-N-[2-(oxolan-2-yl)ethyl]butanamide
CID 110731236
1-N,1-N,4-trimethyl-2-N-[2-(oxolan-2-yl)ethyl]pentane-1,2-diamine
CID 65164114
1-bromo-N-[2-(oxolan-2-yl)ethyl]propan-2-amine
CID 107859707
3,3-dimethyl-N-[2-(oxolan-2-yl)ethyl]butan-2-amine
CID 115708972
1-methylsulfanyl-4-(oxolan-2-yl)-N-propylbutan-2-amine
CID 65164508
N-ethyl-1-(oxolan-2-yl)butan-2-amine
CID 60820573
2-[3-(chloromethyl)-4-methylpentyl]oxolane
CID 66033878
2-[4-(chloromethyl)hexyl]oxolane
CID 66034557
(1S)-1-cyclohexyl-N-[2-[(2S)-oxolan-2-yl]ethyl]ethanamine
CID 93468404
2-bromo-N-[2-(oxolan-2-yl)ethyl]butanamide
CID 62856863
N-ethyl-1-methylsulfanyl-4-(oxolan-2-yl)butan-2-amine
CID 65164506

Frequently Asked Questions

What is the IUPAC name of 1-chloro-N-[2-(oxolan-2-yl)ethyl]butan-2-amine?
The IUPAC name of 1-chloro-N-[2-(oxolan-2-yl)ethyl]butan-2-amine (CID 65165393) is 1-chloro-N-[2-(oxolan-2-yl)ethyl]butan-2-amine.
What is the SMILES notation for 1-chloro-N-[2-(oxolan-2-yl)ethyl]butan-2-amine?
The canonical SMILES for 1-chloro-N-[2-(oxolan-2-yl)ethyl]butan-2-amine is CCC(CCl)NCCC1CCCO1.
What is the InChIKey of 1-chloro-N-[2-(oxolan-2-yl)ethyl]butan-2-amine?
The InChIKey is MLXCDUSKBUCBFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20ClNO/c1-2-9(8-11)12-6-5-10-4-3-7-13-10/h9-10,12H,2-8H2,1H3.
What are the key properties of 1-chloro-N-[2-(oxolan-2-yl)ethyl]butan-2-amine?
1-chloro-N-[2-(oxolan-2-yl)ethyl]butan-2-amine has a molecular weight of 205.73 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N-[2-(oxolan-2-yl)ethyl]butan-2-amine is sourced from PubChem (CID 65165393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).