4-methoxy-4-methyl-N-[(1S)-1-pyridin-2-ylethyl]pentan-2-amine

C14H24N2O — CID 81399712

IUPAC4-methoxy-4-methyl-N-[(1S)-1-pyridin-2-ylethyl]pentan-2-amine
SMILESCOC(C)(C)CC(C)N[C@@H](C)c1ccccn1
InChIInChI=1S/C14H24N2O/c1-11(10-14(3,4)17-5)16-12(2)13-8-6-7-9-15-13/h6-9,11-12,16H,10H2,1-5H3/t11?,12-/m0/s1
InChIKeyDNKHVQQPEOAPIO-KIYNQFGBSA-N
MW236.36 g/mol
LogP2.94
Rot. Bonds6

About 4-methoxy-4-methyl-N-[(1S)-1-pyridin-2-ylethyl]pentan-2-amine

4-methoxy-4-methyl-N-[(1S)-1-pyridin-2-ylethyl]pentan-2-amine (PubChem CID 81399712) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 4-methoxy-4-methyl-N-[(1S)-1-pyridin-2-ylethyl]pentan-2-amine.

Molecular Properties

Compound Name4-methoxy-4-methyl-N-[(1S)-1-pyridin-2-ylethyl]pentan-2-amine
PubChem CID81399712
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name4-methoxy-4-methyl-N-[(1S)-1-pyridin-2-ylethyl]pentan-2-amine
SMILESCOC(C)(C)CC(C)N[C@@H](C)c1ccccn1
InChIInChI=1S/C14H24N2O/c1-11(10-14(3,4)17-5)16-12(2)13-8-6-7-9-15-13/h6-9,11-12,16H,10H2,1-5H3/t11?,12-/m0/s1
InChIKeyDNKHVQQPEOAPIO-KIYNQFGBSA-N
XLogP2.94
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-pyridin-2-ylethyl]pentan-2-amine
CID 81401489
4-methoxy-N-[(1R)-1-(2-methoxyphenyl)ethyl]-4-methylpentan-2-amine
CID 81396657
4-methoxy-4-methyl-N-(2-pyridin-2-ylethyl)pentan-2-amine
CID 43147057
3-methyl-N-[(1S)-1-pyridin-2-ylethyl]pentan-2-amine
CID 81402254
3-methoxy-N-[(1R)-1-pyridin-2-ylethyl]butan-2-amine
CID 104865186
4-methoxy-3-(1-pyridin-2-ylethylamino)butan-1-ol
CID 115872140
N-(1-iodoethyl)-1-pyridin-2-ylethanamine
CID 174262770
(2S)-3-methyl-N-[(1R)-1-pyridin-2-ylethyl]butan-2-amine
CID 28648178
(2S)-N-[(1S)-1-pyridin-2-ylethyl]hex-5-en-2-amine
CID 97358759
3-(1-pyridin-2-ylethylamino)butanamide
CID 115572776
2-ethoxy-2-methyl-N-(1-pyridin-2-ylethyl)propan-1-amine
CID 114941166
1-[2-(1-pyridin-2-ylethylamino)propyl]pyrrolidin-2-one
CID 54865845

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-4-methyl-N-[(1S)-1-pyridin-2-ylethyl]pentan-2-amine?
The IUPAC name of 4-methoxy-4-methyl-N-[(1S)-1-pyridin-2-ylethyl]pentan-2-amine (CID 81399712) is 4-methoxy-4-methyl-N-[(1S)-1-pyridin-2-ylethyl]pentan-2-amine.
What is the SMILES notation for 4-methoxy-4-methyl-N-[(1S)-1-pyridin-2-ylethyl]pentan-2-amine?
The canonical SMILES for 4-methoxy-4-methyl-N-[(1S)-1-pyridin-2-ylethyl]pentan-2-amine is COC(C)(C)CC(C)N[C@@H](C)c1ccccn1.
What is the InChIKey of 4-methoxy-4-methyl-N-[(1S)-1-pyridin-2-ylethyl]pentan-2-amine?
The InChIKey is DNKHVQQPEOAPIO-KIYNQFGBSA-N. The full InChI is InChI=1S/C14H24N2O/c1-11(10-14(3,4)17-5)16-12(2)13-8-6-7-9-15-13/h6-9,11-12,16H,10H2,1-5H3/t11?,12-/m0/s1.
What are the key properties of 4-methoxy-4-methyl-N-[(1S)-1-pyridin-2-ylethyl]pentan-2-amine?
4-methoxy-4-methyl-N-[(1S)-1-pyridin-2-ylethyl]pentan-2-amine has a molecular weight of 236.36 g/mol, XLogP of 2.94, 6 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-[(1S)-1-pyridin-2-ylethyl]pentan-2-amine is sourced from PubChem (CID 81399712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).