N-(3-chloropropyl)-N-(oxolan-2-ylmethyl)cyclobutanamine

C12H22ClNO — CID 102860419

IUPACN-(3-chloropropyl)-N-(oxolan-2-ylmethyl)cyclobutanamine
SMILESClCCCN(CC1CCCO1)C1CCC1
InChIInChI=1S/C12H22ClNO/c13-7-3-8-14(11-4-1-5-11)10-12-6-2-9-15-12/h11-12H,1-10H2
InChIKeyAETKSOMONKBUJR-UHFFFAOYSA-N
MW231.77 g/mol
LogP2.65
Rot. Bonds6

About N-(3-chloropropyl)-N-(oxolan-2-ylmethyl)cyclobutanamine

N-(3-chloropropyl)-N-(oxolan-2-ylmethyl)cyclobutanamine (PubChem CID 102860419) has the molecular formula C12H22ClNO and a molecular weight of 231.77 g/mol. Its IUPAC name is N-(3-chloropropyl)-N-(oxolan-2-ylmethyl)cyclobutanamine.

Molecular Properties

Compound NameN-(3-chloropropyl)-N-(oxolan-2-ylmethyl)cyclobutanamine
PubChem CID102860419
Molecular FormulaC12H22ClNO
Molecular Weight231.77 g/mol
Exact Mass231.14
IUPAC NameN-(3-chloropropyl)-N-(oxolan-2-ylmethyl)cyclobutanamine
SMILESClCCCN(CC1CCCO1)C1CCC1
InChIInChI=1S/C12H22ClNO/c13-7-3-8-14(11-4-1-5-11)10-12-6-2-9-15-12/h11-12H,1-10H2
InChIKeyAETKSOMONKBUJR-UHFFFAOYSA-N
XLogP2.65
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.77
LogP ≤ 52.65
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

Furfurylamine, tetrahydro-N,N-bis(2-chloroethyl)-
CID 45696
3-chloro-N-ethyl-N-(oxolan-2-ylmethyl)propan-1-amine
CID 55137393
2-chloro-N-ethyl-N-(oxolan-2-ylmethyl)ethanamine
CID 61435409
5-chloro-N-ethyl-N-(oxolan-2-ylmethyl)pentan-1-amine
CID 61435455
2-chloro-N-methyl-N-(oxolan-2-ylmethyl)ethanamine
CID 61436036
3-chloro-N-methyl-N-(oxolan-2-ylmethyl)propan-1-amine
CID 61436037
5-chloro-N-methyl-N-(oxolan-2-ylmethyl)pentan-1-amine
CID 61436040
4-chloro-N-methyl-N-(oxolan-2-ylmethyl)butan-1-amine
CID 61749241
4-chloro-N-ethyl-N-(oxolan-2-ylmethyl)butan-1-amine
CID 61749432
6-chloro-N-methyl-N-(oxolan-2-ylmethyl)hexan-1-amine
CID 62227446
6-chloro-N-ethyl-N-(oxolan-2-ylmethyl)hexan-1-amine
CID 62227644
N-(2-chloroethyl)-N-(oxolan-2-ylmethyl)cyclohexanamine
CID 63386651

Frequently Asked Questions

What is the IUPAC name of N-(3-chloropropyl)-N-(oxolan-2-ylmethyl)cyclobutanamine?
The IUPAC name of N-(3-chloropropyl)-N-(oxolan-2-ylmethyl)cyclobutanamine (CID 102860419) is N-(3-chloropropyl)-N-(oxolan-2-ylmethyl)cyclobutanamine.
What is the SMILES notation for N-(3-chloropropyl)-N-(oxolan-2-ylmethyl)cyclobutanamine?
The canonical SMILES for N-(3-chloropropyl)-N-(oxolan-2-ylmethyl)cyclobutanamine is ClCCCN(CC1CCCO1)C1CCC1.
What is the InChIKey of N-(3-chloropropyl)-N-(oxolan-2-ylmethyl)cyclobutanamine?
The InChIKey is AETKSOMONKBUJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22ClNO/c13-7-3-8-14(11-4-1-5-11)10-12-6-2-9-15-12/h11-12H,1-10H2.
What are the key properties of N-(3-chloropropyl)-N-(oxolan-2-ylmethyl)cyclobutanamine?
N-(3-chloropropyl)-N-(oxolan-2-ylmethyl)cyclobutanamine has a molecular weight of 231.77 g/mol, XLogP of 2.65, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloropropyl)-N-(oxolan-2-ylmethyl)cyclobutanamine is sourced from PubChem (CID 102860419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).