N-(1-cyclopropyl-2-methoxyethyl)-2,3,3-trimethylbutan-1-amine

C13H27NO — CID 81338401

IUPACN-(1-cyclopropyl-2-methoxyethyl)-2,3,3-trimethylbutan-1-amine
SMILESCOCC(NCC(C)C(C)(C)C)C1CC1
InChIInChI=1S/C13H27NO/c1-10(13(2,3)4)8-14-12(9-15-5)11-6-7-11/h10-12,14H,6-9H2,1-5H3
InChIKeyAZPIOIZLBZQHNW-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.68
Rot. Bonds6

About N-(1-cyclopropyl-2-methoxyethyl)-2,3,3-trimethylbutan-1-amine

N-(1-cyclopropyl-2-methoxyethyl)-2,3,3-trimethylbutan-1-amine (PubChem CID 81338401) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is N-(1-cyclopropyl-2-methoxyethyl)-2,3,3-trimethylbutan-1-amine.

Molecular Properties

Compound NameN-(1-cyclopropyl-2-methoxyethyl)-2,3,3-trimethylbutan-1-amine
PubChem CID81338401
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC NameN-(1-cyclopropyl-2-methoxyethyl)-2,3,3-trimethylbutan-1-amine
SMILESCOCC(NCC(C)C(C)(C)C)C1CC1
InChIInChI=1S/C13H27NO/c1-10(13(2,3)4)8-14-12(9-15-5)11-6-7-11/h10-12,14H,6-9H2,1-5H3
InChIKeyAZPIOIZLBZQHNW-UHFFFAOYSA-N
XLogP2.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-cyclopropyl-2-methoxyethyl)-3,3,3-trifluoropropan-1-amine
CID 80409230
N-(1-cyclopropyl-2-methoxyethyl)-4,4,4-trifluorobutan-1-amine
CID 81343650
N-(1-cyclopropyl-2-methoxyethyl)-4,4,4-trifluorobutan-2-amine
CID 115895246
N-[2-[(2,2-difluoro-3,3-dimethylcyclopropyl)methoxy]ethyl]propan-2-amine
CID 126845170
1-(2-fluoro-1-methylcyclopropyl)-2-methoxy-N-methylethanamine
CID 131226980
1-methoxy-N,4-dimethylpentan-2-amine
CID 13140129
(2S)-1-methoxy-N,4-dimethylpentan-2-amine
CID 13140130
(2S)-1-methoxy-3,3-dimethyl-N-propan-2-ylbutan-2-amine
CID 13571319
(2S)-1-ethoxy-N-ethyl-4-methylpentan-2-amine
CID 18649579
N-(1-cyclopropyl-2-methoxyethyl)propan-1-amine
CID 18967778
2-[[(1S)-1-cyclopropyl-2-methoxyethyl]amino]acetonitrile
CID 44191197
(2R)-1-methoxy-N,4-dimethylpentan-2-amine
CID 59640405

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropyl-2-methoxyethyl)-2,3,3-trimethylbutan-1-amine?
The IUPAC name of N-(1-cyclopropyl-2-methoxyethyl)-2,3,3-trimethylbutan-1-amine (CID 81338401) is N-(1-cyclopropyl-2-methoxyethyl)-2,3,3-trimethylbutan-1-amine.
What is the SMILES notation for N-(1-cyclopropyl-2-methoxyethyl)-2,3,3-trimethylbutan-1-amine?
The canonical SMILES for N-(1-cyclopropyl-2-methoxyethyl)-2,3,3-trimethylbutan-1-amine is COCC(NCC(C)C(C)(C)C)C1CC1.
What is the InChIKey of N-(1-cyclopropyl-2-methoxyethyl)-2,3,3-trimethylbutan-1-amine?
The InChIKey is AZPIOIZLBZQHNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-10(13(2,3)4)8-14-12(9-15-5)11-6-7-11/h10-12,14H,6-9H2,1-5H3.
What are the key properties of N-(1-cyclopropyl-2-methoxyethyl)-2,3,3-trimethylbutan-1-amine?
N-(1-cyclopropyl-2-methoxyethyl)-2,3,3-trimethylbutan-1-amine has a molecular weight of 213.36 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropyl-2-methoxyethyl)-2,3,3-trimethylbutan-1-amine is sourced from PubChem (CID 81338401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).