N-butyl-2-cyclopropyloxolan-3-amine

C11H21NO — CID 103580713

IUPACN-butyl-2-cyclopropyloxolan-3-amine
SMILESCCCCNC1CCOC1C1CC1
InChIInChI=1S/C11H21NO/c1-2-3-7-12-10-6-8-13-11(10)9-4-5-9/h9-12H,2-8H2,1H3
InChIKeyCWKLUDIEFGGOHJ-UHFFFAOYSA-N
MW183.29 g/mol
LogP1.94
Rot. Bonds5

About N-butyl-2-cyclopropyloxolan-3-amine

N-butyl-2-cyclopropyloxolan-3-amine (PubChem CID 103580713) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is N-butyl-2-cyclopropyloxolan-3-amine.

Molecular Properties

Compound NameN-butyl-2-cyclopropyloxolan-3-amine
PubChem CID103580713
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC NameN-butyl-2-cyclopropyloxolan-3-amine
SMILESCCCCNC1CCOC1C1CC1
InChIInChI=1S/C11H21NO/c1-2-3-7-12-10-6-8-13-11(10)9-4-5-9/h9-12H,2-8H2,1H3
InChIKeyCWKLUDIEFGGOHJ-UHFFFAOYSA-N
XLogP1.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-cyclopropyl-N-hept-6-enyloxolan-3-amine
CID 107167060
4-[(2-cyclopropyloxolan-3-yl)amino]-2-methylbutan-2-ol
CID 103580800
2-cyclopropyl-N-(2-ethylbutyl)oxolan-3-amine
CID 103923918
N-[2-[(2-cyclopropyloxolan-3-yl)amino]ethyl]acetamide
CID 103580659
2-cyclopropyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]oxolan-3-amine
CID 103580891
1-butoxy-3-[(2-cyclopropyloxolan-3-yl)amino]propan-2-ol
CID 107271893
(2S,3R)-2-methyl-N-pentyloxolan-3-amine
CID 97358110
2-cyclopropyl-N-(3-methoxy-3-methylbutyl)oxolan-3-amine
CID 103581014
tert-butyl 3-[(2-cyclopropyloxolan-3-yl)amino]propanoate
CID 114119970
N-(cyclobutylmethyl)-2-cyclopropyloxolan-3-amine
CID 103580992
2-cyclopropyl-N-(2,6-dimethylheptan-4-yl)oxolan-3-amine
CID 103905726
2-cyclopropyl-N-[[4-(diethylamino)phenyl]methyl]oxolan-3-amine
CID 103864488

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-cyclopropyloxolan-3-amine?
The IUPAC name of N-butyl-2-cyclopropyloxolan-3-amine (CID 103580713) is N-butyl-2-cyclopropyloxolan-3-amine.
What is the SMILES notation for N-butyl-2-cyclopropyloxolan-3-amine?
The canonical SMILES for N-butyl-2-cyclopropyloxolan-3-amine is CCCCNC1CCOC1C1CC1.
What is the InChIKey of N-butyl-2-cyclopropyloxolan-3-amine?
The InChIKey is CWKLUDIEFGGOHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-2-3-7-12-10-6-8-13-11(10)9-4-5-9/h9-12H,2-8H2,1H3.
What are the key properties of N-butyl-2-cyclopropyloxolan-3-amine?
N-butyl-2-cyclopropyloxolan-3-amine has a molecular weight of 183.29 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-cyclopropyloxolan-3-amine is sourced from PubChem (CID 103580713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).