3-(aminomethyl)-N-butan-2-yl-N-butyl-2-methyloxolan-3-amine

C14H30N2O — CID 82717640

IUPAC3-(aminomethyl)-N-butan-2-yl-N-butyl-2-methyloxolan-3-amine
SMILESCCCCN(C(C)CC)C1(CN)CCOC1C
InChIInChI=1S/C14H30N2O/c1-5-7-9-16(12(3)6-2)14(11-15)8-10-17-13(14)4/h12-13H,5-11,15H2,1-4H3
InChIKeyQQICMDLFDOTBEO-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.39
Rot. Bonds7

About 3-(aminomethyl)-N-butan-2-yl-N-butyl-2-methyloxolan-3-amine

3-(aminomethyl)-N-butan-2-yl-N-butyl-2-methyloxolan-3-amine (PubChem CID 82717640) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is 3-(aminomethyl)-N-butan-2-yl-N-butyl-2-methyloxolan-3-amine.

Molecular Properties

Compound Name3-(aminomethyl)-N-butan-2-yl-N-butyl-2-methyloxolan-3-amine
PubChem CID82717640
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name3-(aminomethyl)-N-butan-2-yl-N-butyl-2-methyloxolan-3-amine
SMILESCCCCN(C(C)CC)C1(CN)CCOC1C
InChIInChI=1S/C14H30N2O/c1-5-7-9-16(12(3)6-2)14(11-15)8-10-17-13(14)4/h12-13H,5-11,15H2,1-4H3
InChIKeyQQICMDLFDOTBEO-UHFFFAOYSA-N
XLogP2.39
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(aminomethyl)-N-butyl-N-ethyl-2-methyloxolan-3-amine
CID 82717384
1-(aminomethyl)-N-butan-2-yl-N-butyl-2,4,4-trimethylcyclopentan-1-amine
CID 106663071
3-(aminomethyl)-N,2-dimethyl-N-propyloxolan-3-amine
CID 82718601
3-(aminomethyl)-2-methyl-N,N-bis(3-methylbutyl)oxolan-3-amine
CID 107869444
3-(aminomethyl)-2-methyl-N,N-bis(2-methylpropyl)oxolan-3-amine
CID 82719159
3-(aminomethyl)-N-butan-2-yl-N-butyl-1,5-dimethylpyrrolidin-3-amine
CID 81468809
3-(aminomethyl)-N-cyclopropyl-N,2-dimethyloxolan-3-amine
CID 82717506
3-(aminomethyl)-N-cyclopentyl-N,2-dimethyloxolan-3-amine
CID 82717798
4-(aminomethyl)-N-butan-2-yl-N-butyl-1-methylazepan-4-amine
CID 65075573
3-(aminomethyl)-N,2-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)oxolan-3-amine
CID 82718623
3-(aminomethyl)-N-butan-2-yl-N-butyl-1,1-dioxothian-3-amine
CID 63922457
1-(aminomethyl)-N-butan-2-yl-N-butyl-4,4-dimethylcycloheptan-1-amine
CID 65087976

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-butan-2-yl-N-butyl-2-methyloxolan-3-amine?
The IUPAC name of 3-(aminomethyl)-N-butan-2-yl-N-butyl-2-methyloxolan-3-amine (CID 82717640) is 3-(aminomethyl)-N-butan-2-yl-N-butyl-2-methyloxolan-3-amine.
What is the SMILES notation for 3-(aminomethyl)-N-butan-2-yl-N-butyl-2-methyloxolan-3-amine?
The canonical SMILES for 3-(aminomethyl)-N-butan-2-yl-N-butyl-2-methyloxolan-3-amine is CCCCN(C(C)CC)C1(CN)CCOC1C.
What is the InChIKey of 3-(aminomethyl)-N-butan-2-yl-N-butyl-2-methyloxolan-3-amine?
The InChIKey is QQICMDLFDOTBEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-5-7-9-16(12(3)6-2)14(11-15)8-10-17-13(14)4/h12-13H,5-11,15H2,1-4H3.
What are the key properties of 3-(aminomethyl)-N-butan-2-yl-N-butyl-2-methyloxolan-3-amine?
3-(aminomethyl)-N-butan-2-yl-N-butyl-2-methyloxolan-3-amine has a molecular weight of 242.41 g/mol, XLogP of 2.39, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-butan-2-yl-N-butyl-2-methyloxolan-3-amine is sourced from PubChem (CID 82717640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).