N-(2-ethoxyethyl)-4-propylcyclohexen-1-amine

C13H25NO — CID 163675237

IUPACN-(2-ethoxyethyl)-4-propylcyclohexen-1-amine
SMILESCCCC1CC=C(NCCOCC)CC1
InChIInChI=1S/C13H25NO/c1-3-5-12-6-8-13(9-7-12)14-10-11-15-4-2/h8,12,14H,3-7,9-11H2,1-2H3
InChIKeyJGCPJIAKKLWFHN-UHFFFAOYSA-N
MW211.35 g/mol
LogP3.10
Rot. Bonds7

About N-(2-ethoxyethyl)-4-propylcyclohexen-1-amine

N-(2-ethoxyethyl)-4-propylcyclohexen-1-amine (PubChem CID 163675237) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is N-(2-ethoxyethyl)-4-propylcyclohexen-1-amine.

Molecular Properties

Compound NameN-(2-ethoxyethyl)-4-propylcyclohexen-1-amine
PubChem CID163675237
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC NameN-(2-ethoxyethyl)-4-propylcyclohexen-1-amine
SMILESCCCC1CC=C(NCCOCC)CC1
InChIInChI=1S/C13H25NO/c1-3-5-12-6-8-13(9-7-12)14-10-11-15-4-2/h8,12,14H,3-7,9-11H2,1-2H3
InChIKeyJGCPJIAKKLWFHN-UHFFFAOYSA-N
XLogP3.10
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 53.10
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

[(Cyclohex-3-en-1-yl)methyl](2-methoxyethyl)amine
CID 43180514
N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103276798
2-(2,2-difluoroethoxy)-N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]ethanamine
CID 105906033
4-(3-Ethylcyclohexen-1-yl)morpholine
CID 20259857
4-(4-Propylcyclohexen-1-yl)morpholine
CID 21032912
4-(5-Methylcyclohepten-1-yl)morpholine
CID 67574808
6-Methyl-4-(2,3,6-trimethylmorpholin-4-yl)cyclohex-3-en-1-amine
CID 70974474
(1S,6R)-N-(1-methoxypropan-2-yl)bicyclo[4.1.0]hept-2-en-7-amine
CID 146222822
2-[2-[(3,5,5-Trimethylcyclohexen-1-yl)amino]ethoxy]ethanol
CID 154947570
4,5-dimethyl-N-(2-propoxyethyl)hex-1-en-2-amine
CID 155036828
N-(2-methoxyethyl)-N,4-dimethylcyclohexen-1-amine
CID 166088779
4-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]morpholin-4-ium
CID 6942921

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyethyl)-4-propylcyclohexen-1-amine?
The IUPAC name of N-(2-ethoxyethyl)-4-propylcyclohexen-1-amine (CID 163675237) is N-(2-ethoxyethyl)-4-propylcyclohexen-1-amine.
What is the SMILES notation for N-(2-ethoxyethyl)-4-propylcyclohexen-1-amine?
The canonical SMILES for N-(2-ethoxyethyl)-4-propylcyclohexen-1-amine is CCCC1CC=C(NCCOCC)CC1.
What is the InChIKey of N-(2-ethoxyethyl)-4-propylcyclohexen-1-amine?
The InChIKey is JGCPJIAKKLWFHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-3-5-12-6-8-13(9-7-12)14-10-11-15-4-2/h8,12,14H,3-7,9-11H2,1-2H3.
What are the key properties of N-(2-ethoxyethyl)-4-propylcyclohexen-1-amine?
N-(2-ethoxyethyl)-4-propylcyclohexen-1-amine has a molecular weight of 211.35 g/mol, XLogP of 3.10, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyethyl)-4-propylcyclohexen-1-amine is sourced from PubChem (CID 163675237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).