2-methyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]cycloheptan-1-amine

C14H29NO — CID 112589213

IUPAC2-methyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]cycloheptan-1-amine
SMILESCC1CCCCCC1NCCOC(C)(C)C
InChIInChI=1S/C14H29NO/c1-12-8-6-5-7-9-13(12)15-10-11-16-14(2,3)4/h12-13,15H,5-11H2,1-4H3
InChIKeyNOOSELUYPKWYCU-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.36
Rot. Bonds4

About 2-methyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]cycloheptan-1-amine

2-methyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]cycloheptan-1-amine (PubChem CID 112589213) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 2-methyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]cycloheptan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]cycloheptan-1-amine
PubChem CID112589213
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name2-methyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]cycloheptan-1-amine
SMILESCC1CCCCCC1NCCOC(C)(C)C
InChIInChI=1S/C14H29NO/c1-12-8-6-5-7-9-13(12)15-10-11-16-14(2,3)4/h12-13,15H,5-11H2,1-4H3
InChIKeyNOOSELUYPKWYCU-UHFFFAOYSA-N
XLogP3.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.36
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-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2-methylsulfanylcyclohexan-1-amine
CID 103931438
N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-methylcycloheptan-1-amine
CID 104562465
trans-(1R,2R)-N-(3-methoxypropyl)-2-methylcyclopentan-1-amine
CID 95377511
N-(2-ethoxyethyl)-2-methylcyclopentan-1-amine
CID 63278014
2-methyl-4-[(2-methylcyclohexyl)amino]butan-2-ol
CID 79361747
cis-(1R,2S)-N-(4-methoxybutyl)-2-methylcyclopentan-1-amine
CID 96923239
trans-(1R,2R)-N-(4-methoxybutyl)-2-methylcyclopentan-1-amine
CID 96923238
N-(3-cyclohexyloxypropyl)-2-methylcyclopentan-1-amine
CID 65046770
ethanol;2-methyl-N-propylcycloheptan-1-amine
CID 71071730
2-methyl-N-[2-[2-(2-methylpropoxy)ethoxy]ethyl]cyclohexan-1-amine
CID 106450291
tert-butyl 3-[[(1S,2S)-2-methylcyclohexyl]amino]propanoate
CID 94133529
2-methyl-N-(3-propan-2-yloxypropyl)cyclohexan-1-amine
CID 43183143

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]cycloheptan-1-amine?
The IUPAC name of 2-methyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]cycloheptan-1-amine (CID 112589213) is 2-methyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]cycloheptan-1-amine.
What is the SMILES notation for 2-methyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]cycloheptan-1-amine?
The canonical SMILES for 2-methyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]cycloheptan-1-amine is CC1CCCCCC1NCCOC(C)(C)C.
What is the InChIKey of 2-methyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]cycloheptan-1-amine?
The InChIKey is NOOSELUYPKWYCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-12-8-6-5-7-9-13(12)15-10-11-16-14(2,3)4/h12-13,15H,5-11H2,1-4H3.
What are the key properties of 2-methyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]cycloheptan-1-amine?
2-methyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]cycloheptan-1-amine has a molecular weight of 227.39 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]cycloheptan-1-amine is sourced from PubChem (CID 112589213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).