N-butyl-2,6-dimethyl-N-(pyrrolidin-2-ylmethyl)oxan-4-amine

C16H32N2O — CID 106604803

IUPACN-butyl-2,6-dimethyl-N-(pyrrolidin-2-ylmethyl)oxan-4-amine
SMILESCCCCN(CC1CCCN1)C1CC(C)OC(C)C1
InChIInChI=1S/C16H32N2O/c1-4-5-9-18(12-15-7-6-8-17-15)16-10-13(2)19-14(3)11-16/h13-17H,4-12H2,1-3H3
InChIKeyPPQIYMRHKMHNDL-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.80
Rot. Bonds6

About N-butyl-2,6-dimethyl-N-(pyrrolidin-2-ylmethyl)oxan-4-amine

N-butyl-2,6-dimethyl-N-(pyrrolidin-2-ylmethyl)oxan-4-amine (PubChem CID 106604803) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is N-butyl-2,6-dimethyl-N-(pyrrolidin-2-ylmethyl)oxan-4-amine.

Molecular Properties

Compound NameN-butyl-2,6-dimethyl-N-(pyrrolidin-2-ylmethyl)oxan-4-amine
PubChem CID106604803
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC NameN-butyl-2,6-dimethyl-N-(pyrrolidin-2-ylmethyl)oxan-4-amine
SMILESCCCCN(CC1CCCN1)C1CC(C)OC(C)C1
InChIInChI=1S/C16H32N2O/c1-4-5-9-18(12-15-7-6-8-17-15)16-10-13(2)19-14(3)11-16/h13-17H,4-12H2,1-3H3
InChIKeyPPQIYMRHKMHNDL-UHFFFAOYSA-N
XLogP2.80
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-N-(pyrrolidin-2-ylmethyl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 106604774
N-butyl-4-propan-2-yl-N-(pyrrolidin-2-ylmethyl)cycloheptan-1-amine
CID 106604985
N-(2-butoxyethyl)-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 104979302
N-propyl-N-(pyrrolidin-2-ylmethyl)cyclohexanamine
CID 106603994
N-propyl-N-(pyrrolidin-2-ylmethyl)oxan-4-amine
CID 106604067
N-methyl-N-[[(2R)-pyrrolidin-2-yl]methyl]butan-1-amine
CID 28598118
N-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]butan-1-amine
CID 22689623
N-(3-ethoxypropyl)-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 104979258
N-butyl-N-(pyrrolidin-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 106604683
N-butyl-2-methoxy-N-(pyrrolidin-2-ylmethyl)cyclohexan-1-amine
CID 106873334
N-butyl-N-(pyrrolidin-2-ylmethyl)cyclohex-2-en-1-amine
CID 106616594
N-butyl-N-[[(2R)-piperidin-2-yl]methyl]butan-1-amine
CID 28983352

Frequently Asked Questions

What is the IUPAC name of N-butyl-2,6-dimethyl-N-(pyrrolidin-2-ylmethyl)oxan-4-amine?
The IUPAC name of N-butyl-2,6-dimethyl-N-(pyrrolidin-2-ylmethyl)oxan-4-amine (CID 106604803) is N-butyl-2,6-dimethyl-N-(pyrrolidin-2-ylmethyl)oxan-4-amine.
What is the SMILES notation for N-butyl-2,6-dimethyl-N-(pyrrolidin-2-ylmethyl)oxan-4-amine?
The canonical SMILES for N-butyl-2,6-dimethyl-N-(pyrrolidin-2-ylmethyl)oxan-4-amine is CCCCN(CC1CCCN1)C1CC(C)OC(C)C1.
What is the InChIKey of N-butyl-2,6-dimethyl-N-(pyrrolidin-2-ylmethyl)oxan-4-amine?
The InChIKey is PPQIYMRHKMHNDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-4-5-9-18(12-15-7-6-8-17-15)16-10-13(2)19-14(3)11-16/h13-17H,4-12H2,1-3H3.
What are the key properties of N-butyl-2,6-dimethyl-N-(pyrrolidin-2-ylmethyl)oxan-4-amine?
N-butyl-2,6-dimethyl-N-(pyrrolidin-2-ylmethyl)oxan-4-amine has a molecular weight of 268.44 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2,6-dimethyl-N-(pyrrolidin-2-ylmethyl)oxan-4-amine is sourced from PubChem (CID 106604803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).