N-(2,2-diethoxyethyl)-4-methylcycloheptan-1-amine

C14H29NO2 — CID 79547423

IUPACN-(2,2-diethoxyethyl)-4-methylcycloheptan-1-amine
SMILESCCOC(CNC1CCCC(C)CC1)OCC
InChIInChI=1S/C14H29NO2/c1-4-16-14(17-5-2)11-15-13-8-6-7-12(3)9-10-13/h12-15H,4-11H2,1-3H3
InChIKeyBUCVFJGKECIVCE-UHFFFAOYSA-N
MW243.39 g/mol
LogP2.94
Rot. Bonds7

About N-(2,2-diethoxyethyl)-4-methylcycloheptan-1-amine

N-(2,2-diethoxyethyl)-4-methylcycloheptan-1-amine (PubChem CID 79547423) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is N-(2,2-diethoxyethyl)-4-methylcycloheptan-1-amine.

Molecular Properties

Compound NameN-(2,2-diethoxyethyl)-4-methylcycloheptan-1-amine
PubChem CID79547423
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC NameN-(2,2-diethoxyethyl)-4-methylcycloheptan-1-amine
SMILESCCOC(CNC1CCCC(C)CC1)OCC
InChIInChI=1S/C14H29NO2/c1-4-16-14(17-5-2)11-15-13-8-6-7-12(3)9-10-13/h12-15H,4-11H2,1-3H3
InChIKeyBUCVFJGKECIVCE-UHFFFAOYSA-N
XLogP2.94
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-(2,2-diethoxyethyl)-4-methoxycyclohexan-1-amine
CID 113414407
N-(2,2-diethoxyethyl)-1-ethylazepan-4-amine
CID 79547698
2-methyl-3-[(4-methylcycloheptyl)amino]propan-1-ol
CID 65079742
1-methoxy-3-[(4-methylcycloheptyl)amino]propan-2-ol
CID 65080146
N-(cyclobutylmethyl)-4-methylcycloheptan-1-amine
CID 65081336
4-methyl-N-(2-methyl-3-methylsulfanylpropyl)cycloheptan-1-amine
CID 65079994
N-(2-ethoxypropyl)cyclooctanamine
CID 115724296
methyl 3-[4-(2,2-diethoxyethylamino)cyclohexyl]propanoate
CID 15816910
N-(2-methoxyethyl)-4-methylcycloheptan-1-amine
CID 65081207
1-ethoxy-3-[(4-methylcyclohexyl)amino]propan-2-ol
CID 63931912
2-(2,2-dimethylpropyl)-N'-(4-methylcycloheptyl)propane-1,3-diamine
CID 114100507
4-methyl-N-pentan-3-ylcycloheptan-1-amine
CID 65081260

Frequently Asked Questions

What is the IUPAC name of N-(2,2-diethoxyethyl)-4-methylcycloheptan-1-amine?
The IUPAC name of N-(2,2-diethoxyethyl)-4-methylcycloheptan-1-amine (CID 79547423) is N-(2,2-diethoxyethyl)-4-methylcycloheptan-1-amine.
What is the SMILES notation for N-(2,2-diethoxyethyl)-4-methylcycloheptan-1-amine?
The canonical SMILES for N-(2,2-diethoxyethyl)-4-methylcycloheptan-1-amine is CCOC(CNC1CCCC(C)CC1)OCC.
What is the InChIKey of N-(2,2-diethoxyethyl)-4-methylcycloheptan-1-amine?
The InChIKey is BUCVFJGKECIVCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-4-16-14(17-5-2)11-15-13-8-6-7-12(3)9-10-13/h12-15H,4-11H2,1-3H3.
What are the key properties of N-(2,2-diethoxyethyl)-4-methylcycloheptan-1-amine?
N-(2,2-diethoxyethyl)-4-methylcycloheptan-1-amine has a molecular weight of 243.39 g/mol, XLogP of 2.94, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-diethoxyethyl)-4-methylcycloheptan-1-amine is sourced from PubChem (CID 79547423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).