N-(2-methoxyethyl)-2-methyl-2-(2-phenylcyclopropyl)pentan-1-amine

C18H29NO — CID 116518067

IUPACN-(2-methoxyethyl)-2-methyl-2-(2-phenylcyclopropyl)pentan-1-amine
SMILESCCCC(C)(CNCCOC)C1CC1c1ccccc1
InChIInChI=1S/C18H29NO/c1-4-10-18(2,14-19-11-12-20-3)17-13-16(17)15-8-6-5-7-9-15/h5-9,16-17,19H,4,10-14H2,1-3H3
InChIKeyBCJXPKYVDRTZJZ-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.83
Rot. Bonds9

About N-(2-methoxyethyl)-2-methyl-2-(2-phenylcyclopropyl)pentan-1-amine

N-(2-methoxyethyl)-2-methyl-2-(2-phenylcyclopropyl)pentan-1-amine (PubChem CID 116518067) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-methyl-2-(2-phenylcyclopropyl)pentan-1-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-methyl-2-(2-phenylcyclopropyl)pentan-1-amine
PubChem CID116518067
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC NameN-(2-methoxyethyl)-2-methyl-2-(2-phenylcyclopropyl)pentan-1-amine
SMILESCCCC(C)(CNCCOC)C1CC1c1ccccc1
InChIInChI=1S/C18H29NO/c1-4-10-18(2,14-19-11-12-20-3)17-13-16(17)15-8-6-5-7-9-15/h5-9,16-17,19H,4,10-14H2,1-3H3
InChIKeyBCJXPKYVDRTZJZ-UHFFFAOYSA-N
XLogP3.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-2-methyl-2-(2-phenylcyclopropyl)butan-1-amine
CID 116518083
2-benzyl-N-(2-methoxyethyl)-2-methylpentan-1-amine
CID 62726236
2-ethyl-N-(2-methoxyethyl)-2-phenylpentan-1-amine
CID 55107234
1-(3-ethyl-4-phenylpiperidin-1-yl)-2-(2-methoxyethylamino)ethanone
CID 119817687
2-(2,3-dihydro-1-benzofuran-3-ylmethyl)-N-(2-methoxyethyl)-2-methylpentan-1-amine
CID 79219911
2-ethyl-N-(2-methoxyethyl)-2-methyl-4-phenylsulfanylbutan-1-amine
CID 79227224
2-cyclopropyl-N-(2-methoxyethyl)-2-methyldecan-1-amine
CID 83160454
[(1S)-2-tert-butylcyclopropyl]benzene
CID 59541250
3-[2-cyclopropyl-3-(2-methoxyethylamino)-2-methylpropyl]phenol
CID 83159271
2-cyclopropyl-3-(3-fluorophenyl)-N-(2-methoxyethyl)-2-methylpropan-1-amine
CID 83159546
2-cyclopropyl-3-(2,6-dimethylphenyl)-N-(2-methoxyethyl)-2-methylpropan-1-amine
CID 83159632
2-cyclopropyl-2-methyl-4-phenoxy-N-propylbutan-1-amine
CID 83160593

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-methyl-2-(2-phenylcyclopropyl)pentan-1-amine?
The IUPAC name of N-(2-methoxyethyl)-2-methyl-2-(2-phenylcyclopropyl)pentan-1-amine (CID 116518067) is N-(2-methoxyethyl)-2-methyl-2-(2-phenylcyclopropyl)pentan-1-amine.
What is the SMILES notation for N-(2-methoxyethyl)-2-methyl-2-(2-phenylcyclopropyl)pentan-1-amine?
The canonical SMILES for N-(2-methoxyethyl)-2-methyl-2-(2-phenylcyclopropyl)pentan-1-amine is CCCC(C)(CNCCOC)C1CC1c1ccccc1.
What is the InChIKey of N-(2-methoxyethyl)-2-methyl-2-(2-phenylcyclopropyl)pentan-1-amine?
The InChIKey is BCJXPKYVDRTZJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-4-10-18(2,14-19-11-12-20-3)17-13-16(17)15-8-6-5-7-9-15/h5-9,16-17,19H,4,10-14H2,1-3H3.
What are the key properties of N-(2-methoxyethyl)-2-methyl-2-(2-phenylcyclopropyl)pentan-1-amine?
N-(2-methoxyethyl)-2-methyl-2-(2-phenylcyclopropyl)pentan-1-amine has a molecular weight of 275.44 g/mol, XLogP of 3.83, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-methyl-2-(2-phenylcyclopropyl)pentan-1-amine is sourced from PubChem (CID 116518067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).