[4-[(4-aminocyclohexyl)methyl]cyclohexyl]azanium

C13H27N2+ — CID 146710523

IUPAC[4-[(4-aminocyclohexyl)methyl]cyclohexyl]azanium
SMILESNC1CCC(CC2CCC([NH3+])CC2)CC1
InChIInChI=1S/C13H26N2/c14-12-5-1-10(2-6-12)9-11-3-7-13(15)8-4-11/h10-13H,1-9,14-15H2/p+1
InChIKeyDZIHTWJGPDVSGE-UHFFFAOYSA-O
MW211.37 g/mol
LogP1.69
Rot. Bonds2

About [4-[(4-aminocyclohexyl)methyl]cyclohexyl]azanium

[4-[(4-aminocyclohexyl)methyl]cyclohexyl]azanium (PubChem CID 146710523) has the molecular formula C13H27N2+ and a molecular weight of 211.37 g/mol. Its IUPAC name is [4-[(4-aminocyclohexyl)methyl]cyclohexyl]azanium.

Molecular Properties

Compound Name[4-[(4-aminocyclohexyl)methyl]cyclohexyl]azanium
PubChem CID146710523
Molecular FormulaC13H27N2+
Molecular Weight211.37 g/mol
Exact Mass211.22
IUPAC Name[4-[(4-aminocyclohexyl)methyl]cyclohexyl]azanium
SMILESNC1CCC(CC2CCC([NH3+])CC2)CC1
InChIInChI=1S/C13H26N2/c14-12-5-1-10(2-6-12)9-11-3-7-13(15)8-4-11/h10-13H,1-9,14-15H2/p+1
InChIKeyDZIHTWJGPDVSGE-UHFFFAOYSA-O
XLogP1.69
TPSA53.66 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.37
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

[4-[[4-[[4-[(4-aminocyclohexyl)methyl]cyclohexyl]amino]cyclohexyl]methyl]cyclohexyl]azanium
CID 163544073
(4-aminocyclohexyl)azanium chloride
CID 139194803
4-(cyclopropylmethyl)cyclohexan-1-amine
CID 126845684
4-[(4-aminocyclohexyl)methyl]cyclohexan-1-amine;hydrofluoride
CID 70522175
4-[(4-aminocyclohexyl)methyl]cyclohexan-1-amine;ethane
CID 159510225
4-(cyclopentylmethyl)cyclohexan-1-amine
CID 3523250
4-[[4-(aminomethyl)cyclohexyl]methyl]cyclohexan-1-amine
CID 54348885
(5-aminocyclooctyl)azanium
CID 153193766
cyclopropylazanium dichloride
CID 173255049
4-[4-(4-aminocyclohexyl)heptan-4-yl]cyclohexan-1-amine;4-[(4-aminocyclohexyl)methyl]cyclohexan-1-amine
CID 70405450
cyclohexane-1,4-diamine;hydrochloride
CID 54599176
(1,2,3-13C3)cyclopropanamine
CID 76972988

Frequently Asked Questions

What is the IUPAC name of [4-[(4-aminocyclohexyl)methyl]cyclohexyl]azanium?
The IUPAC name of [4-[(4-aminocyclohexyl)methyl]cyclohexyl]azanium (CID 146710523) is [4-[(4-aminocyclohexyl)methyl]cyclohexyl]azanium.
What is the SMILES notation for [4-[(4-aminocyclohexyl)methyl]cyclohexyl]azanium?
The canonical SMILES for [4-[(4-aminocyclohexyl)methyl]cyclohexyl]azanium is NC1CCC(CC2CCC([NH3+])CC2)CC1.
What is the InChIKey of [4-[(4-aminocyclohexyl)methyl]cyclohexyl]azanium?
The InChIKey is DZIHTWJGPDVSGE-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H26N2/c14-12-5-1-10(2-6-12)9-11-3-7-13(15)8-4-11/h10-13H,1-9,14-15H2/p+1.
What are the key properties of [4-[(4-aminocyclohexyl)methyl]cyclohexyl]azanium?
[4-[(4-aminocyclohexyl)methyl]cyclohexyl]azanium has a molecular weight of 211.37 g/mol, XLogP of 1.69, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-aminocyclohexyl)methyl]cyclohexyl]azanium is sourced from PubChem (CID 146710523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).