4-(2-bicyclo[2.2.1]heptanylmethoxy)cyclohexan-1-amine

C14H25NO — CID 79559458

IUPAC4-(2-bicyclo[2.2.1]heptanylmethoxy)cyclohexan-1-amine
SMILESNC1CCC(OCC2CC3CCC2C3)CC1
InChIInChI=1S/C14H25NO/c15-13-3-5-14(6-4-13)16-9-12-8-10-1-2-11(12)7-10/h10-14H,1-9,15H2
InChIKeyQSFJGOHFXMIJPK-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.71
Rot. Bonds3

About 4-(2-bicyclo[2.2.1]heptanylmethoxy)cyclohexan-1-amine

4-(2-bicyclo[2.2.1]heptanylmethoxy)cyclohexan-1-amine (PubChem CID 79559458) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 4-(2-bicyclo[2.2.1]heptanylmethoxy)cyclohexan-1-amine.

Molecular Properties

Compound Name4-(2-bicyclo[2.2.1]heptanylmethoxy)cyclohexan-1-amine
PubChem CID79559458
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name4-(2-bicyclo[2.2.1]heptanylmethoxy)cyclohexan-1-amine
SMILESNC1CCC(OCC2CC3CCC2C3)CC1
InChIInChI=1S/C14H25NO/c15-13-3-5-14(6-4-13)16-9-12-8-10-1-2-11(12)7-10/h10-14H,1-9,15H2
InChIKeyQSFJGOHFXMIJPK-UHFFFAOYSA-N
XLogP2.71
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

O-(2-bicyclo[2.2.1]heptanylmethyl)hydroxylamine;hydrochloride
CID 67132086
bis[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl] [(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]methyl borate
CID 124937601
(1R,2S,4S)-2-(chloromethyl)bicyclo[2.2.1]heptane
CID 55301828
(1S,2S,4R)-2-[2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]bicyclo[2.2.1]heptane
CID 54589598
1-(2-bicyclo[2.2.1]heptanylmethyl)azetidin-3-amine
CID 79558497
2-(2-bicyclo[2.2.1]heptanylmethoxy)-N-methylcyclohexan-1-amine
CID 102633098
(1R,2S,4R)-2-(iodomethyl)bicyclo[2.2.1]heptane
CID 98085317
3-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-N-methylcyclopentane-1,3-diamine
CID 79468782
3-(cyclopropylmethoxy)cyclopentan-1-amine
CID 79458422
(2S)-bicyclo[2.2.1]heptan-2-amine
CID 12720689
2-bicyclo[2.2.1]heptanylmethylphosphane
CID 58351251
(1S,2S,4S)-2-(bromomethyl)bicyclo[2.2.1]heptane
CID 12625652

Frequently Asked Questions

What is the IUPAC name of 4-(2-bicyclo[2.2.1]heptanylmethoxy)cyclohexan-1-amine?
The IUPAC name of 4-(2-bicyclo[2.2.1]heptanylmethoxy)cyclohexan-1-amine (CID 79559458) is 4-(2-bicyclo[2.2.1]heptanylmethoxy)cyclohexan-1-amine.
What is the SMILES notation for 4-(2-bicyclo[2.2.1]heptanylmethoxy)cyclohexan-1-amine?
The canonical SMILES for 4-(2-bicyclo[2.2.1]heptanylmethoxy)cyclohexan-1-amine is NC1CCC(OCC2CC3CCC2C3)CC1.
What is the InChIKey of 4-(2-bicyclo[2.2.1]heptanylmethoxy)cyclohexan-1-amine?
The InChIKey is QSFJGOHFXMIJPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c15-13-3-5-14(6-4-13)16-9-12-8-10-1-2-11(12)7-10/h10-14H,1-9,15H2.
What are the key properties of 4-(2-bicyclo[2.2.1]heptanylmethoxy)cyclohexan-1-amine?
4-(2-bicyclo[2.2.1]heptanylmethoxy)cyclohexan-1-amine has a molecular weight of 223.36 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bicyclo[2.2.1]heptanylmethoxy)cyclohexan-1-amine is sourced from PubChem (CID 79559458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).