(2S)-4-methoxy-4-methyl-N-propan-2-ylpentan-2-amine

C10H23NO — CID 29013890

IUPAC(2S)-4-methoxy-4-methyl-N-propan-2-ylpentan-2-amine
SMILESCOC(C)(C)C[C@H](C)NC(C)C
InChIInChI=1S/C10H23NO/c1-8(2)11-9(3)7-10(4,5)12-6/h8-9,11H,7H2,1-6H3/t9-/m0/s1
InChIKeyJVLYSFHBYOPWJO-VIFPVBQESA-N
MW173.30 g/mol
LogP2.19
Rot. Bonds5

About (2S)-4-methoxy-4-methyl-N-propan-2-ylpentan-2-amine

(2S)-4-methoxy-4-methyl-N-propan-2-ylpentan-2-amine (PubChem CID 29013890) has the molecular formula C10H23NO and a molecular weight of 173.30 g/mol. Its IUPAC name is (2S)-4-methoxy-4-methyl-N-propan-2-ylpentan-2-amine.

Molecular Properties

Compound Name(2S)-4-methoxy-4-methyl-N-propan-2-ylpentan-2-amine
PubChem CID29013890
Molecular FormulaC10H23NO
Molecular Weight173.30 g/mol
Exact Mass173.18
IUPAC Name(2S)-4-methoxy-4-methyl-N-propan-2-ylpentan-2-amine
SMILESCOC(C)(C)C[C@H](C)NC(C)C
InChIInChI=1S/C10H23NO/c1-8(2)11-9(3)7-10(4,5)12-6/h8-9,11H,7H2,1-6H3/t9-/m0/s1
InChIKeyJVLYSFHBYOPWJO-VIFPVBQESA-N
XLogP2.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.30
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-Methoxy-4-methylpentan-2-amine
CID 22273175
4-methoxy-4-methyl-N-(2,2,2-trifluoroethyl)pentan-2-amine
CID 43146950
4-methoxy-4-methyl-N-(3,3,3-trifluoropropyl)pentan-2-amine
CID 63226548
N-ethyl-1,1,1-trifluoro-4-methoxy-2,4-dimethylpentan-2-amine
CID 66204142
1,1,1-trifluoro-4-methoxy-2,4-dimethyl-N-propylpentan-2-amine
CID 66205173
N-ethyl-1,1-difluoro-4-methoxy-2,4-dimethylpentan-2-amine
CID 80604812
1,1-difluoro-4-methoxy-2,4-dimethyl-N-propylpentan-2-amine
CID 80605536
4-methoxy-4-methyl-N-(4,4,4-trifluorobutyl)pentan-2-amine
CID 81343377
4-methoxy-4-methyl-N-(2,2,3,3-tetrafluoropropyl)pentan-2-amine
CID 103529315
N-(4-methoxy-4-methylpentan-2-yl)-1-(trifluoromethyl)cyclopropan-1-amine
CID 106210358
1,1,1-trifluoro-4-methoxy-N,4-dimethylpentan-2-amine
CID 106676423
N-ethyl-1,1,1-trifluoro-4-methoxy-4-methylpentan-2-amine
CID 106676424

Frequently Asked Questions

What is the IUPAC name of (2S)-4-methoxy-4-methyl-N-propan-2-ylpentan-2-amine?
The IUPAC name of (2S)-4-methoxy-4-methyl-N-propan-2-ylpentan-2-amine (CID 29013890) is (2S)-4-methoxy-4-methyl-N-propan-2-ylpentan-2-amine.
What is the SMILES notation for (2S)-4-methoxy-4-methyl-N-propan-2-ylpentan-2-amine?
The canonical SMILES for (2S)-4-methoxy-4-methyl-N-propan-2-ylpentan-2-amine is COC(C)(C)C[C@H](C)NC(C)C.
What is the InChIKey of (2S)-4-methoxy-4-methyl-N-propan-2-ylpentan-2-amine?
The InChIKey is JVLYSFHBYOPWJO-VIFPVBQESA-N. The full InChI is InChI=1S/C10H23NO/c1-8(2)11-9(3)7-10(4,5)12-6/h8-9,11H,7H2,1-6H3/t9-/m0/s1.
What are the key properties of (2S)-4-methoxy-4-methyl-N-propan-2-ylpentan-2-amine?
(2S)-4-methoxy-4-methyl-N-propan-2-ylpentan-2-amine has a molecular weight of 173.30 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-methoxy-4-methyl-N-propan-2-ylpentan-2-amine is sourced from PubChem (CID 29013890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).