4-cyclohexyloxy-1-methylcycloheptan-1-amine

C14H27NO — CID 142240821

IUPAC4-cyclohexyloxy-1-methylcycloheptan-1-amine
SMILESCC1(N)CCCC(OC2CCCCC2)CC1
InChIInChI=1S/C14H27NO/c1-14(15)10-5-8-13(9-11-14)16-12-6-3-2-4-7-12/h12-13H,2-11,15H2,1H3
InChIKeyURAGWPBBNFSQTA-UHFFFAOYSA-N
MW225.38 g/mol
LogP3.39
Rot. Bonds2

About 4-cyclohexyloxy-1-methylcycloheptan-1-amine

4-cyclohexyloxy-1-methylcycloheptan-1-amine (PubChem CID 142240821) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 4-cyclohexyloxy-1-methylcycloheptan-1-amine.

Molecular Properties

Compound Name4-cyclohexyloxy-1-methylcycloheptan-1-amine
PubChem CID142240821
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name4-cyclohexyloxy-1-methylcycloheptan-1-amine
SMILESCC1(N)CCCC(OC2CCCCC2)CC1
InChIInChI=1S/C14H27NO/c1-14(15)10-5-8-13(9-11-14)16-12-6-3-2-4-7-12/h12-13H,2-11,15H2,1H3
InChIKeyURAGWPBBNFSQTA-UHFFFAOYSA-N
XLogP3.39
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-Methoxycyclohexyl)propan-2-amine
CID 121318313
7-Ethoxy-3-ethyldecan-3-amine
CID 57119536
1-(4-Ethoxycyclohexyl)cyclohexan-1-amine
CID 66769157
1-[2-(Oxiran-2-yl)ethyl]cyclohexan-1-amine
CID 87398795
1-(Oxolan-3-ylmethyl)cyclohexan-1-amine
CID 115074058
4-Cyclohexyloxy-1-methylcycloheptan-1-amine;ethane
CID 142240822
Ethane;2-ethyl-8-oxabicyclo[3.2.1]octan-2-amine
CID 170754287
2-Ethyl-8-oxabicyclo[3.2.1]octan-2-amine
CID 170754288
2-(4-Propoxycyclohexyl)propan-2-amine
CID 172523770
2-(2,2-Dimethylpropyl)-8-oxabicyclo[3.2.1]octan-2-amine
CID 178484923
1-(Oxan-4-ylmethyl)cycloheptan-1-amine
CID 62621968
1-(2-Propan-2-yloxyethyl)cycloheptan-1-amine
CID 62622345

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyloxy-1-methylcycloheptan-1-amine?
The IUPAC name of 4-cyclohexyloxy-1-methylcycloheptan-1-amine (CID 142240821) is 4-cyclohexyloxy-1-methylcycloheptan-1-amine.
What is the SMILES notation for 4-cyclohexyloxy-1-methylcycloheptan-1-amine?
The canonical SMILES for 4-cyclohexyloxy-1-methylcycloheptan-1-amine is CC1(N)CCCC(OC2CCCCC2)CC1.
What is the InChIKey of 4-cyclohexyloxy-1-methylcycloheptan-1-amine?
The InChIKey is URAGWPBBNFSQTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-14(15)10-5-8-13(9-11-14)16-12-6-3-2-4-7-12/h12-13H,2-11,15H2,1H3.
What are the key properties of 4-cyclohexyloxy-1-methylcycloheptan-1-amine?
4-cyclohexyloxy-1-methylcycloheptan-1-amine has a molecular weight of 225.38 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyloxy-1-methylcycloheptan-1-amine is sourced from PubChem (CID 142240821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).