1-(pent-3-ynoxymethyl)cyclohexan-1-amine

C12H21NO — CID 104808636

IUPAC1-(pent-3-ynoxymethyl)cyclohexan-1-amine
SMILESCC#CCCOCC1(N)CCCCC1
InChIInChI=1S/C12H21NO/c1-2-3-7-10-14-11-12(13)8-5-4-6-9-12/h4-11,13H2,1H3
InChIKeyGTYNZNNVRSKLIS-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.08
Rot. Bonds4

About 1-(pent-3-ynoxymethyl)cyclohexan-1-amine

1-(pent-3-ynoxymethyl)cyclohexan-1-amine (PubChem CID 104808636) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 1-(pent-3-ynoxymethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(pent-3-ynoxymethyl)cyclohexan-1-amine
PubChem CID104808636
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name1-(pent-3-ynoxymethyl)cyclohexan-1-amine
SMILESCC#CCCOCC1(N)CCCCC1
InChIInChI=1S/C12H21NO/c1-2-3-7-10-14-11-12(13)8-5-4-6-9-12/h4-11,13H2,1H3
InChIKeyGTYNZNNVRSKLIS-UHFFFAOYSA-N
XLogP2.08
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]cyclohexan-1-amine
CID 104564416
1-[2-(dimethylamino)ethoxymethyl]cycloheptan-1-amine
CID 64549368
1-(pentoxymethyl)cyclohexan-1-amine
CID 64572474
1-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]cycloheptan-1-amine
CID 112590376
1-(2-butoxyethoxymethyl)cycloheptan-1-amine
CID 64548962
5-[(1-aminocyclopentyl)methoxy]pentanenitrile
CID 64572441
1-[3-(dimethylamino)propoxymethyl]cycloheptan-1-amine
CID 114525846
3-[(1-aminocyclopentyl)methoxy]propan-1-ol
CID 106938228
1-(2-propan-2-ylsulfonylethoxymethyl)cycloheptan-1-amine
CID 106726951
1-(2,2-difluoroethoxymethyl)cyclohexan-1-amine
CID 64574422
1-(2-phenoxyethoxymethyl)cyclohexan-1-amine
CID 64573978
1-[2-[(1-aminocyclohexyl)methoxy]propan-2-yloxymethyl]cyclohexan-1-amine
CID 137411601

Frequently Asked Questions

What is the IUPAC name of 1-(pent-3-ynoxymethyl)cyclohexan-1-amine?
The IUPAC name of 1-(pent-3-ynoxymethyl)cyclohexan-1-amine (CID 104808636) is 1-(pent-3-ynoxymethyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(pent-3-ynoxymethyl)cyclohexan-1-amine?
The canonical SMILES for 1-(pent-3-ynoxymethyl)cyclohexan-1-amine is CC#CCCOCC1(N)CCCCC1.
What is the InChIKey of 1-(pent-3-ynoxymethyl)cyclohexan-1-amine?
The InChIKey is GTYNZNNVRSKLIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-2-3-7-10-14-11-12(13)8-5-4-6-9-12/h4-11,13H2,1H3.
What are the key properties of 1-(pent-3-ynoxymethyl)cyclohexan-1-amine?
1-(pent-3-ynoxymethyl)cyclohexan-1-amine has a molecular weight of 195.31 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pent-3-ynoxymethyl)cyclohexan-1-amine is sourced from PubChem (CID 104808636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).