4-methoxy-4-methyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pentan-2-amine

C15H32N2O — CID 106602818

IUPAC4-methoxy-4-methyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pentan-2-amine
SMILESCOC(C)(C)CC(C)N(CC1CCCN1)C(C)C
InChIInChI=1S/C15H32N2O/c1-12(2)17(11-14-8-7-9-16-14)13(3)10-15(4,5)18-6/h12-14,16H,7-11H2,1-6H3
InChIKeyLWFHIGFSRCWWAK-UHFFFAOYSA-N
MW256.43 g/mol
LogP2.65
Rot. Bonds7

About 4-methoxy-4-methyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pentan-2-amine

4-methoxy-4-methyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pentan-2-amine (PubChem CID 106602818) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is 4-methoxy-4-methyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pentan-2-amine.

Molecular Properties

Compound Name4-methoxy-4-methyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pentan-2-amine
PubChem CID106602818
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC Name4-methoxy-4-methyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pentan-2-amine
SMILESCOC(C)(C)CC(C)N(CC1CCCN1)C(C)C
InChIInChI=1S/C15H32N2O/c1-12(2)17(11-14-8-7-9-16-14)13(3)10-15(4,5)18-6/h12-14,16H,7-11H2,1-6H3
InChIKeyLWFHIGFSRCWWAK-UHFFFAOYSA-N
XLogP2.65
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)butan-2-amine
CID 106603221
3-methyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pentan-2-amine
CID 106602821
1-cyclopropyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106603245
1-phenyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)propan-2-amine
CID 106602939
N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)heptan-3-amine
CID 106602941
N-ethyl-N-(pyrrolidin-2-ylmethyl)propan-2-amine
CID 43265935
2,2-dimethyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106603129
N-ethyl-3-methoxy-N-(pyrrolidin-2-ylmethyl)butan-2-amine
CID 106603489
2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]propanamide
CID 106614462
2-methyl-N,N-bis(piperidin-2-ylmethyl)propan-2-amine
CID 5252100
N-(1-cyclopropyl-2-methoxyethyl)-N-(piperidin-2-ylmethyl)propan-2-amine
CID 106622043
3-methoxy-3-methyl-N-propyl-N-(pyrrolidin-2-ylmethyl)butanamide
CID 106610288

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-4-methyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pentan-2-amine?
The IUPAC name of 4-methoxy-4-methyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pentan-2-amine (CID 106602818) is 4-methoxy-4-methyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pentan-2-amine.
What is the SMILES notation for 4-methoxy-4-methyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pentan-2-amine?
The canonical SMILES for 4-methoxy-4-methyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pentan-2-amine is COC(C)(C)CC(C)N(CC1CCCN1)C(C)C.
What is the InChIKey of 4-methoxy-4-methyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pentan-2-amine?
The InChIKey is LWFHIGFSRCWWAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O/c1-12(2)17(11-14-8-7-9-16-14)13(3)10-15(4,5)18-6/h12-14,16H,7-11H2,1-6H3.
What are the key properties of 4-methoxy-4-methyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pentan-2-amine?
4-methoxy-4-methyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pentan-2-amine has a molecular weight of 256.43 g/mol, XLogP of 2.65, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-4-methyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pentan-2-amine is sourced from PubChem (CID 106602818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).