N-(3-chloropropyl)oxolan-2-amine

C7H14ClNO — CID 175243953

IUPACN-(3-chloropropyl)oxolan-2-amine
SMILESClCCCNC1CCCO1
InChIInChI=1S/C7H14ClNO/c8-4-2-5-9-7-3-1-6-10-7/h7,9H,1-6H2
InChIKeyJPKIPPDOZXNUIV-UHFFFAOYSA-N
MW163.65 g/mol
LogP1.34
Rot. Bonds4

About N-(3-chloropropyl)oxolan-2-amine

N-(3-chloropropyl)oxolan-2-amine (PubChem CID 175243953) has the molecular formula C7H14ClNO and a molecular weight of 163.65 g/mol. Its IUPAC name is N-(3-chloropropyl)oxolan-2-amine.

Molecular Properties

Compound NameN-(3-chloropropyl)oxolan-2-amine
PubChem CID175243953
Molecular FormulaC7H14ClNO
Molecular Weight163.65 g/mol
Exact Mass163.08
IUPAC NameN-(3-chloropropyl)oxolan-2-amine
SMILESClCCCNC1CCCO1
InChIInChI=1S/C7H14ClNO/c8-4-2-5-9-7-3-1-6-10-7/h7,9H,1-6H2
InChIKeyJPKIPPDOZXNUIV-UHFFFAOYSA-N
XLogP1.34
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.65
LogP ≤ 51.34
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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Related Compounds

6-chloro-N-[3-(oxolan-2-yl)propyl]hexan-1-amine
CID 107845985
(2S)-2-(6-chlorohexyl)oxolane
CID 155932056
N-(2-chloroethyl)cyclooctanamine
CID 18316363
N-(pyrrolidin-3-ylmethyl)oxolan-2-amine
CID 105434589
2-(3-chloropropyl)oxane
CID 23511686
2-(sulfinatoamino)oxolane
CID 57299941
3-methyl-N-[3-(oxolan-2-yl)propyl]cyclohexan-1-amine
CID 65163773
2-(3-chloropropyl)-1,3-dioxepane
CID 14318108
(Z)-N-(3-chloropropyl)-2-cyano-3-(oxolan-2-ylmethylamino)prop-2-enamide
CID 108854044
N-(methylideneamino)oxolan-2-amine
CID 163795352
1-N,4-N-bis(oxolan-2-yl)benzene-1,4-diamine
CID 70173345
3-chloro-N-[3-(oxolan-2-ylmethoxy)propyl]propane-1-sulfonamide
CID 61248566

Frequently Asked Questions

What is the IUPAC name of N-(3-chloropropyl)oxolan-2-amine?
The IUPAC name of N-(3-chloropropyl)oxolan-2-amine (CID 175243953) is N-(3-chloropropyl)oxolan-2-amine.
What is the SMILES notation for N-(3-chloropropyl)oxolan-2-amine?
The canonical SMILES for N-(3-chloropropyl)oxolan-2-amine is ClCCCNC1CCCO1.
What is the InChIKey of N-(3-chloropropyl)oxolan-2-amine?
The InChIKey is JPKIPPDOZXNUIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14ClNO/c8-4-2-5-9-7-3-1-6-10-7/h7,9H,1-6H2.
What are the key properties of N-(3-chloropropyl)oxolan-2-amine?
N-(3-chloropropyl)oxolan-2-amine has a molecular weight of 163.65 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloropropyl)oxolan-2-amine is sourced from PubChem (CID 175243953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).