N-[[1-(ethoxymethyl)cyclohexyl]methyl]propan-1-amine

C13H27NO — CID 103984489

IUPACN-[[1-(ethoxymethyl)cyclohexyl]methyl]propan-1-amine
SMILESCCCNCC1(COCC)CCCCC1
InChIInChI=1S/C13H27NO/c1-3-10-14-11-13(12-15-4-2)8-6-5-7-9-13/h14H,3-12H2,1-2H3
InChIKeyNBGNIPAZYNSQNX-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.97
Rot. Bonds7

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

N-[[1-(ethoxymethyl)cyclohexyl]methyl]propan-1-amine (PubChem CID 103984489) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is N-[[1-(ethoxymethyl)cyclohexyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-(ethoxymethyl)cyclohexyl]methyl]propan-1-amine
PubChem CID103984489
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC NameN-[[1-(ethoxymethyl)cyclohexyl]methyl]propan-1-amine
SMILESCCCNCC1(COCC)CCCCC1
InChIInChI=1S/C13H27NO/c1-3-10-14-11-13(12-15-4-2)8-6-5-7-9-13/h14H,3-12H2,1-2H3
InChIKeyNBGNIPAZYNSQNX-UHFFFAOYSA-N
XLogP2.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
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

N-[[1-(ethoxymethyl)cyclopentyl]methyl]propan-1-amine
CID 103984505
N-[[1-(ethoxymethyl)cyclopentyl]methyl]ethanamine
CID 103984503
N-[[1-(cyclopropylmethoxymethyl)cyclopentyl]methyl]propan-1-amine
CID 106930739
N-[[1-(ethoxymethyl)cyclopentyl]methyl]-2-methylpropan-1-amine
CID 103984513
N-[[1-(ethoxymethyl)cyclohexyl]methyl]-2-methylpropan-2-amine
CID 103984495
N-[(1-hexylcyclohexyl)methyl]propan-1-amine
CID 63508687
N-[[1-(2-butoxyethyl)cyclopentyl]methyl]propan-1-amine
CID 55106499
N-[[1-(3-methylbutyl)cyclohexyl]methyl]propan-1-amine
CID 63509381
N-[[1-(2-ethoxyethyl)cyclohexyl]methyl]-2-methoxyethanamine
CID 62723982
N-[[1-(trimethylsilylmethyl)cyclopentyl]methyl]propan-1-amine
CID 106323454
N-[[1-[(dipropylamino)methyl]cyclohexyl]methyl]propan-1-amine
CID 55194825
N-[[1-(chloromethyl)cyclohexyl]methyl]-3-ethoxypropan-1-amine
CID 103969068

Frequently Asked Questions

What is the IUPAC name of N-[[1-(ethoxymethyl)cyclohexyl]methyl]propan-1-amine?
The IUPAC name of N-[[1-(ethoxymethyl)cyclohexyl]methyl]propan-1-amine (CID 103984489) is N-[[1-(ethoxymethyl)cyclohexyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-(ethoxymethyl)cyclohexyl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-(ethoxymethyl)cyclohexyl]methyl]propan-1-amine is CCCNCC1(COCC)CCCCC1.
What is the InChIKey of N-[[1-(ethoxymethyl)cyclohexyl]methyl]propan-1-amine?
The InChIKey is NBGNIPAZYNSQNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-3-10-14-11-13(12-15-4-2)8-6-5-7-9-13/h14H,3-12H2,1-2H3.
What are the key properties of N-[[1-(ethoxymethyl)cyclohexyl]methyl]propan-1-amine?
N-[[1-(ethoxymethyl)cyclohexyl]methyl]propan-1-amine has a molecular weight of 213.36 g/mol, XLogP of 2.97, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(ethoxymethyl)cyclohexyl]methyl]propan-1-amine is sourced from PubChem (CID 103984489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).