N,3,3-trimethyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]butan-2-amine

C14H30N2O — CID 62257097

IUPACN,3,3-trimethyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]butan-2-amine
SMILESCNCC1(CN(C)C(C)C(C)(C)C)CCOC1
InChIInChI=1S/C14H30N2O/c1-12(13(2,3)4)16(6)10-14(9-15-5)7-8-17-11-14/h12,15H,7-11H2,1-6H3
InChIKeyBMRLJRQYJKHTEZ-UHFFFAOYSA-N
MW242.41 g/mol
LogP1.98
Rot. Bonds5

About N,3,3-trimethyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]butan-2-amine

N,3,3-trimethyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]butan-2-amine (PubChem CID 62257097) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is N,3,3-trimethyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]butan-2-amine.

Molecular Properties

Compound NameN,3,3-trimethyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]butan-2-amine
PubChem CID62257097
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC NameN,3,3-trimethyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]butan-2-amine
SMILESCNCC1(CN(C)C(C)C(C)(C)C)CCOC1
InChIInChI=1S/C14H30N2O/c1-12(13(2,3)4)16(6)10-14(9-15-5)7-8-17-11-14/h12,15H,7-11H2,1-6H3
InChIKeyBMRLJRQYJKHTEZ-UHFFFAOYSA-N
XLogP1.98
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,3,3-trimethyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]butan-2-amine?
The IUPAC name of N,3,3-trimethyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]butan-2-amine (CID 62257097) is N,3,3-trimethyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]butan-2-amine.
What is the SMILES notation for N,3,3-trimethyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]butan-2-amine?
The canonical SMILES for N,3,3-trimethyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]butan-2-amine is CNCC1(CN(C)C(C)C(C)(C)C)CCOC1.
What is the InChIKey of N,3,3-trimethyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]butan-2-amine?
The InChIKey is BMRLJRQYJKHTEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-12(13(2,3)4)16(6)10-14(9-15-5)7-8-17-11-14/h12,15H,7-11H2,1-6H3.
What are the key properties of N,3,3-trimethyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]butan-2-amine?
N,3,3-trimethyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]butan-2-amine has a molecular weight of 242.41 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,3-trimethyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]butan-2-amine is sourced from PubChem (CID 62257097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).