N-(1-chloro-3-methylbutan-2-yl)oxolan-3-amine

C9H18ClNO — CID 79244715

IUPACN-(1-chloro-3-methylbutan-2-yl)oxolan-3-amine
SMILESCC(C)C(CCl)NC1CCOC1
InChIInChI=1S/C9H18ClNO/c1-7(2)9(5-10)11-8-3-4-12-6-8/h7-9,11H,3-6H2,1-2H3
InChIKeyQTVLCBSARRTVJK-UHFFFAOYSA-N
MW191.70 g/mol
LogP1.63
Rot. Bonds4

About N-(1-chloro-3-methylbutan-2-yl)oxolan-3-amine

N-(1-chloro-3-methylbutan-2-yl)oxolan-3-amine (PubChem CID 79244715) has the molecular formula C9H18ClNO and a molecular weight of 191.70 g/mol. Its IUPAC name is N-(1-chloro-3-methylbutan-2-yl)oxolan-3-amine.

Molecular Properties

Compound NameN-(1-chloro-3-methylbutan-2-yl)oxolan-3-amine
PubChem CID79244715
Molecular FormulaC9H18ClNO
Molecular Weight191.70 g/mol
Exact Mass191.11
IUPAC NameN-(1-chloro-3-methylbutan-2-yl)oxolan-3-amine
SMILESCC(C)C(CCl)NC1CCOC1
InChIInChI=1S/C9H18ClNO/c1-7(2)9(5-10)11-8-3-4-12-6-8/h7-9,11H,3-6H2,1-2H3
InChIKeyQTVLCBSARRTVJK-UHFFFAOYSA-N
XLogP1.63
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.70
LogP ≤ 51.63
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

1-chloro-3-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]butan-2-amine
CID 79259264
2-chloro-N-[2-(3-methylbutoxy)ethyl]propan-1-amine
CID 65023829
2-chloro-3-methoxy-N-[2-(3-methylbutoxy)ethyl]propan-1-amine
CID 65023928
N-(2-chloropropyl)oxolan-3-amine
CID 65024239
N-(2-chloro-3-methoxypropyl)oxolan-3-amine
CID 65024340
1-chloro-2-methyl-N-[2-(3-methylbutoxy)ethyl]butan-2-amine
CID 65024451
1-chloro-N-(2-ethoxyethyl)-2-methylbutan-2-amine
CID 65024501
N-(2-butoxyethyl)-1-chloro-2-methylbutan-2-amine
CID 65024506
N-(3-chlorobutyl)oxolan-3-amine
CID 65024579
1-chloro-2-methyl-N-(oxolan-3-ylmethyl)butan-2-amine
CID 65024777
N-(1-chloro-2-methylbutan-2-yl)oxolan-3-amine
CID 65024836
1-chloro-N-(2-methoxyethyl)-4-methylpentan-2-amine
CID 65025373

Frequently Asked Questions

What is the IUPAC name of N-(1-chloro-3-methylbutan-2-yl)oxolan-3-amine?
The IUPAC name of N-(1-chloro-3-methylbutan-2-yl)oxolan-3-amine (CID 79244715) is N-(1-chloro-3-methylbutan-2-yl)oxolan-3-amine.
What is the SMILES notation for N-(1-chloro-3-methylbutan-2-yl)oxolan-3-amine?
The canonical SMILES for N-(1-chloro-3-methylbutan-2-yl)oxolan-3-amine is CC(C)C(CCl)NC1CCOC1.
What is the InChIKey of N-(1-chloro-3-methylbutan-2-yl)oxolan-3-amine?
The InChIKey is QTVLCBSARRTVJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18ClNO/c1-7(2)9(5-10)11-8-3-4-12-6-8/h7-9,11H,3-6H2,1-2H3.
What are the key properties of N-(1-chloro-3-methylbutan-2-yl)oxolan-3-amine?
N-(1-chloro-3-methylbutan-2-yl)oxolan-3-amine has a molecular weight of 191.70 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloro-3-methylbutan-2-yl)oxolan-3-amine is sourced from PubChem (CID 79244715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).