N-[[2-(ethoxymethyl)cycloheptyl]methyl]propan-1-amine

C14H29NO — CID 81025395

IUPACN-[[2-(ethoxymethyl)cycloheptyl]methyl]propan-1-amine
SMILESCCCNCC1CCCCCC1COCC
InChIInChI=1S/C14H29NO/c1-3-10-15-11-13-8-6-5-7-9-14(13)12-16-4-2/h13-15H,3-12H2,1-2H3
InChIKeyHYXHLTWSSLOAEQ-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.22
Rot. Bonds7

About N-[[2-(ethoxymethyl)cycloheptyl]methyl]propan-1-amine

N-[[2-(ethoxymethyl)cycloheptyl]methyl]propan-1-amine (PubChem CID 81025395) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is N-[[2-(ethoxymethyl)cycloheptyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(ethoxymethyl)cycloheptyl]methyl]propan-1-amine
PubChem CID81025395
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC NameN-[[2-(ethoxymethyl)cycloheptyl]methyl]propan-1-amine
SMILESCCCNCC1CCCCCC1COCC
InChIInChI=1S/C14H29NO/c1-3-10-15-11-13-8-6-5-7-9-14(13)12-16-4-2/h13-15H,3-12H2,1-2H3
InChIKeyHYXHLTWSSLOAEQ-UHFFFAOYSA-N
XLogP3.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.22
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-(propoxymethyl)cycloheptyl]methyl]ethanamine
CID 81025294
N-[[4-tert-butyl-2-(ethoxymethyl)cyclohexyl]methyl]propan-1-amine
CID 81030913
N-[(2-butylcyclohexyl)methyl]propan-1-amine
CID 81028150
N-[(2-cyclohexylcycloheptyl)methyl]propan-1-amine
CID 81026009
N-[(2-nonylcyclohexyl)methyl]propan-1-amine
CID 81028144
N-[(2-prop-2-enylcyclohexyl)methyl]propan-1-amine
CID 81027769
N'-(cyclohexylmethyl)-N-propylethane-1,2-diamine
CID 62559758
2-(ethoxymethyl)cyclohexan-1-amine
CID 79568761
N-[[4-ethyl-2-(propoxymethyl)cyclohexyl]methyl]propan-1-amine
CID 81029863
N-[[2-[2-(oxolan-2-yl)ethyl]cycloheptyl]methyl]propan-1-amine
CID 81025790
N-[[2-(3-methylbut-3-enyl)cyclohexyl]methyl]propan-1-amine
CID 114477721
N-[[2-(2-methylprop-2-enyl)cyclopentyl]methyl]propan-1-amine
CID 81032712

Frequently Asked Questions

What is the IUPAC name of N-[[2-(ethoxymethyl)cycloheptyl]methyl]propan-1-amine?
The IUPAC name of N-[[2-(ethoxymethyl)cycloheptyl]methyl]propan-1-amine (CID 81025395) is N-[[2-(ethoxymethyl)cycloheptyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(ethoxymethyl)cycloheptyl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-(ethoxymethyl)cycloheptyl]methyl]propan-1-amine is CCCNCC1CCCCCC1COCC.
What is the InChIKey of N-[[2-(ethoxymethyl)cycloheptyl]methyl]propan-1-amine?
The InChIKey is HYXHLTWSSLOAEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-3-10-15-11-13-8-6-5-7-9-14(13)12-16-4-2/h13-15H,3-12H2,1-2H3.
What are the key properties of N-[[2-(ethoxymethyl)cycloheptyl]methyl]propan-1-amine?
N-[[2-(ethoxymethyl)cycloheptyl]methyl]propan-1-amine has a molecular weight of 227.39 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(ethoxymethyl)cycloheptyl]methyl]propan-1-amine is sourced from PubChem (CID 81025395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).