N-(2-chloroethyl)-N-[(5-methyloxolan-2-yl)methyl]butan-1-amine

C12H24ClNO — CID 103139726

IUPACN-(2-chloroethyl)-N-[(5-methyloxolan-2-yl)methyl]butan-1-amine
SMILESCCCCN(CCCl)CC1CCC(C)O1
InChIInChI=1S/C12H24ClNO/c1-3-4-8-14(9-7-13)10-12-6-5-11(2)15-12/h11-12H,3-10H2,1-2H3
InChIKeyYYWNCIAUFGHKDF-UHFFFAOYSA-N
MW233.78 g/mol
LogP2.89
Rot. Bonds7

About N-(2-chloroethyl)-N-[(5-methyloxolan-2-yl)methyl]butan-1-amine

N-(2-chloroethyl)-N-[(5-methyloxolan-2-yl)methyl]butan-1-amine (PubChem CID 103139726) has the molecular formula C12H24ClNO and a molecular weight of 233.78 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-[(5-methyloxolan-2-yl)methyl]butan-1-amine.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-[(5-methyloxolan-2-yl)methyl]butan-1-amine
PubChem CID103139726
Molecular FormulaC12H24ClNO
Molecular Weight233.78 g/mol
Exact Mass233.15
IUPAC NameN-(2-chloroethyl)-N-[(5-methyloxolan-2-yl)methyl]butan-1-amine
SMILESCCCCN(CCCl)CC1CCC(C)O1
InChIInChI=1S/C12H24ClNO/c1-3-4-8-14(9-7-13)10-12-6-5-11(2)15-12/h11-12H,3-10H2,1-2H3
InChIKeyYYWNCIAUFGHKDF-UHFFFAOYSA-N
XLogP2.89
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.78
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-ethyl-N-[(5-methyloxolan-2-yl)methyl]ethanamine
CID 103139740
N-(2-chloroethyl)-N-[(5-methyloxolan-2-yl)methyl]cyclopropanamine
CID 103139756
N'-(2-methoxyethyl)-N'-[(5-methyloxolan-2-yl)methyl]propane-1,3-diamine
CID 103133649
N-butyl-N-(oxiran-2-ylmethyl)butan-1-amine;hydrochloride
CID 159534720
2-methyl-5-octadecyloxolane
CID 167511066
N-butyl-N-(2-chloroethyl)heptan-1-amine
CID 63389515
N-[(5-methyloxolan-2-yl)methyl]-N-(piperidin-4-ylmethyl)ethanamine
CID 82837967
1-bromo-N,2-dimethyl-N-[(5-methyloxolan-2-yl)methyl]propan-2-amine
CID 103139985
5-[[(2-amino-2-oxoethyl)-butylamino]methyl]oxolane-2-carboxylic acid
CID 62299250
N,N-bis(2-chloroethyl)pentan-1-amine;dihydrochloride
CID 23513817
N-(cyclopropylmethyl)-N-propylbutan-1-amine
CID 89097130
N-butyl-N-[[(2R)-piperidin-2-yl]methyl]butan-1-amine
CID 28983352

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-[(5-methyloxolan-2-yl)methyl]butan-1-amine?
The IUPAC name of N-(2-chloroethyl)-N-[(5-methyloxolan-2-yl)methyl]butan-1-amine (CID 103139726) is N-(2-chloroethyl)-N-[(5-methyloxolan-2-yl)methyl]butan-1-amine.
What is the SMILES notation for N-(2-chloroethyl)-N-[(5-methyloxolan-2-yl)methyl]butan-1-amine?
The canonical SMILES for N-(2-chloroethyl)-N-[(5-methyloxolan-2-yl)methyl]butan-1-amine is CCCCN(CCCl)CC1CCC(C)O1.
What is the InChIKey of N-(2-chloroethyl)-N-[(5-methyloxolan-2-yl)methyl]butan-1-amine?
The InChIKey is YYWNCIAUFGHKDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24ClNO/c1-3-4-8-14(9-7-13)10-12-6-5-11(2)15-12/h11-12H,3-10H2,1-2H3.
What are the key properties of N-(2-chloroethyl)-N-[(5-methyloxolan-2-yl)methyl]butan-1-amine?
N-(2-chloroethyl)-N-[(5-methyloxolan-2-yl)methyl]butan-1-amine has a molecular weight of 233.78 g/mol, XLogP of 2.89, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N-[(5-methyloxolan-2-yl)methyl]butan-1-amine is sourced from PubChem (CID 103139726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).