N-[(3-methoxyoxolan-3-yl)methyl]butan-1-amine

C10H21NO2 — CID 104759638

IUPACN-[(3-methoxyoxolan-3-yl)methyl]butan-1-amine
SMILESCCCCNCC1(OC)CCOC1
InChIInChI=1S/C10H21NO2/c1-3-4-6-11-8-10(12-2)5-7-13-9-10/h11H,3-9H2,1-2H3
InChIKeyRCRRLYXRJQCQRC-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.18
Rot. Bonds6

About N-[(3-methoxyoxolan-3-yl)methyl]butan-1-amine

N-[(3-methoxyoxolan-3-yl)methyl]butan-1-amine (PubChem CID 104759638) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is N-[(3-methoxyoxolan-3-yl)methyl]butan-1-amine.

Molecular Properties

Compound NameN-[(3-methoxyoxolan-3-yl)methyl]butan-1-amine
PubChem CID104759638
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC NameN-[(3-methoxyoxolan-3-yl)methyl]butan-1-amine
SMILESCCCCNCC1(OC)CCOC1
InChIInChI=1S/C10H21NO2/c1-3-4-6-11-8-10(12-2)5-7-13-9-10/h11H,3-9H2,1-2H3
InChIKeyRCRRLYXRJQCQRC-UHFFFAOYSA-N
XLogP1.18
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,6-Dioxa-9-azaspiro[4.5]decane
CID 64246460
6,9-Dioxa-2-azaspiro[4.5]decane
CID 54007830
7-Methyl-2,6-dioxa-9-azaspiro(4.5)decane
CID 65122770
7-Ethyl-2,6-dioxa-9-azaspiro[4.5]decane
CID 65127098
1-Methyl-2,6-dioxa-9-azaspiro(4.5)decane
CID 82717591
1,7-Dimethyl-2,6-dioxa-9-azaspiro[4.5]decane
CID 82719355
((3-Ethoxyoxolan-3-yl)methyl)(methyl)amine
CID 105431249
1,1-Dimethyl-2,6-dioxa-9-azaspiro[4.5]decane
CID 130677292
7,7-Dimethyl-2,6-dioxa-9-azaspiro(4.5)decane hydrochloride
CID 146050199
Methyl(((3-(propan-2-yloxy)oxolan-3-yl)methyl))amine
CID 146082573
7,7-Dimethyl-2,6-dioxa-9-azaspiro[4.5]decane
CID 65127257
1,1-difluoro-N-[(3-methoxyoxolan-3-yl)methyl]propan-2-amine
CID 102870037

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyoxolan-3-yl)methyl]butan-1-amine?
The IUPAC name of N-[(3-methoxyoxolan-3-yl)methyl]butan-1-amine (CID 104759638) is N-[(3-methoxyoxolan-3-yl)methyl]butan-1-amine.
What is the SMILES notation for N-[(3-methoxyoxolan-3-yl)methyl]butan-1-amine?
The canonical SMILES for N-[(3-methoxyoxolan-3-yl)methyl]butan-1-amine is CCCCNCC1(OC)CCOC1.
What is the InChIKey of N-[(3-methoxyoxolan-3-yl)methyl]butan-1-amine?
The InChIKey is RCRRLYXRJQCQRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-3-4-6-11-8-10(12-2)5-7-13-9-10/h11H,3-9H2,1-2H3.
What are the key properties of N-[(3-methoxyoxolan-3-yl)methyl]butan-1-amine?
N-[(3-methoxyoxolan-3-yl)methyl]butan-1-amine has a molecular weight of 187.28 g/mol, XLogP of 1.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyoxolan-3-yl)methyl]butan-1-amine is sourced from PubChem (CID 104759638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).