N-butyl-N-methyloxolan-3-amine

C9H19NO — CID 154189060

IUPACN-butyl-N-methyloxolan-3-amine
SMILESCCCCN(C)C1CCOC1
InChIInChI=1S/C9H19NO/c1-3-4-6-10(2)9-5-7-11-8-9/h9H,3-8H2,1-2H3
InChIKeyOLRPGKXWADGAJM-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.51
Rot. Bonds4

About N-butyl-N-methyloxolan-3-amine

N-butyl-N-methyloxolan-3-amine (PubChem CID 154189060) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is N-butyl-N-methyloxolan-3-amine.

Molecular Properties

Compound NameN-butyl-N-methyloxolan-3-amine
PubChem CID154189060
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC NameN-butyl-N-methyloxolan-3-amine
SMILESCCCCN(C)C1CCOC1
InChIInChI=1S/C9H19NO/c1-3-4-6-10(2)9-5-7-11-8-9/h9H,3-8H2,1-2H3
InChIKeyOLRPGKXWADGAJM-UHFFFAOYSA-N
XLogP1.51
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-chloropropyl)-N-methyloxolan-3-amine
CID 82747859
N-(9-bromononyl)-N-methyloxolan-3-amine
CID 105343849
N-tert-butyl-N'-methyl-N'-(oxolan-3-yl)propane-1,3-diamine
CID 82735583
N',2-dimethyl-N'-(oxolan-3-yl)pentane-1,5-diamine
CID 82739452
N-cyclopentyl-N'-methyl-N'-(oxolan-3-yl)propane-1,3-diamine
CID 82753838
N-tert-butyl-N'-methyl-N'-(oxolan-3-yl)butane-1,4-diamine
CID 82754356
N'-methyl-N'-(oxolan-3-yl)-N-propan-2-ylpentane-1,5-diamine
CID 82754082
N,N'-dimethyl-N,N'-bis[(3S)-oxolan-3-yl]but-2-yne-1,4-diamine
CID 124729941
2-amino-2-methyl-5-[methyl(oxolan-3-yl)amino]pentanenitrile
CID 82749419
6-[methyl(oxolan-3-yl)amino]hexanehydrazide
CID 82753777
N-(3-ethoxypropyl)-N'-methyl-N'-(oxolan-3-yl)ethane-1,2-diamine
CID 82754548
N-butan-2-yl-N'-methyl-N'-(oxolan-3-yl)ethane-1,2-diamine
CID 82740088

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-methyloxolan-3-amine?
The IUPAC name of N-butyl-N-methyloxolan-3-amine (CID 154189060) is N-butyl-N-methyloxolan-3-amine.
What is the SMILES notation for N-butyl-N-methyloxolan-3-amine?
The canonical SMILES for N-butyl-N-methyloxolan-3-amine is CCCCN(C)C1CCOC1.
What is the InChIKey of N-butyl-N-methyloxolan-3-amine?
The InChIKey is OLRPGKXWADGAJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-3-4-6-10(2)9-5-7-11-8-9/h9H,3-8H2,1-2H3.
What are the key properties of N-butyl-N-methyloxolan-3-amine?
N-butyl-N-methyloxolan-3-amine has a molecular weight of 157.26 g/mol, XLogP of 1.51, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methyloxolan-3-amine is sourced from PubChem (CID 154189060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).