3-(3-ethoxypropyl)-N-methylcycloheptan-1-amine

C13H27NO — CID 65178285

IUPAC3-(3-ethoxypropyl)-N-methylcycloheptan-1-amine
SMILESCCOCCCC1CCCCC(NC)C1
InChIInChI=1S/C13H27NO/c1-3-15-10-6-8-12-7-4-5-9-13(11-12)14-2/h12-14H,3-11H2,1-2H3
InChIKeyPBABRDKYVQEVDP-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.97
Rot. Bonds6

About 3-(3-ethoxypropyl)-N-methylcycloheptan-1-amine

3-(3-ethoxypropyl)-N-methylcycloheptan-1-amine (PubChem CID 65178285) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 3-(3-ethoxypropyl)-N-methylcycloheptan-1-amine.

Molecular Properties

Compound Name3-(3-ethoxypropyl)-N-methylcycloheptan-1-amine
PubChem CID65178285
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name3-(3-ethoxypropyl)-N-methylcycloheptan-1-amine
SMILESCCOCCCC1CCCCC(NC)C1
InChIInChI=1S/C13H27NO/c1-3-15-10-6-8-12-7-4-5-9-13(11-12)14-2/h12-14H,3-11H2,1-2H3
InChIKeyPBABRDKYVQEVDP-UHFFFAOYSA-N
XLogP2.97
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 ≤ 52.97
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

3-(3-ethoxypropyl)-N-propylcyclohexan-1-amine
CID 65178231
3-[3-(2-methoxyethoxy)propyl]-N-methylcyclohexan-1-amine
CID 103413672
1-bromo-3-(3-ethoxypropyl)cycloheptane
CID 65177683
3-(3-ethoxypropyl)cyclohexan-1-amine
CID 65178011
cis-(1R,3S)-3-ethyl-N-methylcyclohexan-1-amine
CID 129149436
N-methyl-3-nonylcyclopentan-1-amine
CID 64505656
N-(4-ethoxybutyl)cycloheptanamine
CID 112730026
N-methyl-3-[2-(trifluoromethylsulfanyl)ethyl]cycloheptan-1-amine
CID 116627230
1-cyclohexyl-5-ethoxy-N-methylpentan-2-amine
CID 105135620
1-cyclopentyl-2-(3-ethoxypropyl)guanidine
CID 62364488
1-(3-cyclopentylpropyl)-N,2-dimethylpiperidin-4-amine
CID 114136631
2-cyclopentyl-5-ethoxy-N-methylpentan-1-amine
CID 112569754

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethoxypropyl)-N-methylcycloheptan-1-amine?
The IUPAC name of 3-(3-ethoxypropyl)-N-methylcycloheptan-1-amine (CID 65178285) is 3-(3-ethoxypropyl)-N-methylcycloheptan-1-amine.
What is the SMILES notation for 3-(3-ethoxypropyl)-N-methylcycloheptan-1-amine?
The canonical SMILES for 3-(3-ethoxypropyl)-N-methylcycloheptan-1-amine is CCOCCCC1CCCCC(NC)C1.
What is the InChIKey of 3-(3-ethoxypropyl)-N-methylcycloheptan-1-amine?
The InChIKey is PBABRDKYVQEVDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-3-15-10-6-8-12-7-4-5-9-13(11-12)14-2/h12-14H,3-11H2,1-2H3.
What are the key properties of 3-(3-ethoxypropyl)-N-methylcycloheptan-1-amine?
3-(3-ethoxypropyl)-N-methylcycloheptan-1-amine has a molecular weight of 213.36 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethoxypropyl)-N-methylcycloheptan-1-amine is sourced from PubChem (CID 65178285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).