N-[(2S)-4-methoxy-4-methylpentan-2-yl]cyclopropanamine

C10H21NO — CID 29013816

IUPACN-[(2S)-4-methoxy-4-methylpentan-2-yl]cyclopropanamine
SMILESCOC(C)(C)C[C@H](C)NC1CC1
InChIInChI=1S/C10H21NO/c1-8(11-9-5-6-9)7-10(2,3)12-4/h8-9,11H,5-7H2,1-4H3/t8-/m0/s1
InChIKeyYIWLCOXHBVXQRL-QMMMGPOBSA-N
MW171.28 g/mol
LogP1.94
Rot. Bonds5

About N-[(2S)-4-methoxy-4-methylpentan-2-yl]cyclopropanamine

N-[(2S)-4-methoxy-4-methylpentan-2-yl]cyclopropanamine (PubChem CID 29013816) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is N-[(2S)-4-methoxy-4-methylpentan-2-yl]cyclopropanamine.

Molecular Properties

Compound NameN-[(2S)-4-methoxy-4-methylpentan-2-yl]cyclopropanamine
PubChem CID29013816
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC NameN-[(2S)-4-methoxy-4-methylpentan-2-yl]cyclopropanamine
SMILESCOC(C)(C)C[C@H](C)NC1CC1
InChIInChI=1S/C10H21NO/c1-8(11-9-5-6-9)7-10(2,3)12-4/h8-9,11H,5-7H2,1-4H3/t8-/m0/s1
InChIKeyYIWLCOXHBVXQRL-QMMMGPOBSA-N
XLogP1.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-methoxy-2,2-dimethyl-N-propan-2-ylcyclopropan-1-amine
CID 13109456
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
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
1,1,1-trifluoro-4-methoxy-4-methyl-N-propylpentan-2-amine
CID 106676425
1,1-difluoro-4-methoxy-N,4-dimethylpentan-2-amine
CID 106676427
N-ethyl-1,1-difluoro-4-methoxy-4-methylpentan-2-amine
CID 106676428
1,1-difluoro-4-methoxy-4-methyl-N-propylpentan-2-amine
CID 106676429

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-4-methoxy-4-methylpentan-2-yl]cyclopropanamine?
The IUPAC name of N-[(2S)-4-methoxy-4-methylpentan-2-yl]cyclopropanamine (CID 29013816) is N-[(2S)-4-methoxy-4-methylpentan-2-yl]cyclopropanamine.
What is the SMILES notation for N-[(2S)-4-methoxy-4-methylpentan-2-yl]cyclopropanamine?
The canonical SMILES for N-[(2S)-4-methoxy-4-methylpentan-2-yl]cyclopropanamine is COC(C)(C)C[C@H](C)NC1CC1.
What is the InChIKey of N-[(2S)-4-methoxy-4-methylpentan-2-yl]cyclopropanamine?
The InChIKey is YIWLCOXHBVXQRL-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H21NO/c1-8(11-9-5-6-9)7-10(2,3)12-4/h8-9,11H,5-7H2,1-4H3/t8-/m0/s1.
What are the key properties of N-[(2S)-4-methoxy-4-methylpentan-2-yl]cyclopropanamine?
N-[(2S)-4-methoxy-4-methylpentan-2-yl]cyclopropanamine has a molecular weight of 171.28 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-4-methoxy-4-methylpentan-2-yl]cyclopropanamine is sourced from PubChem (CID 29013816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).