4-[(4-aminocyclohexyl)methyl]cyclohexan-1-amine;ethane

C17H38N2 — CID 159510225

IUPAC4-[(4-aminocyclohexyl)methyl]cyclohexan-1-amine;ethane
SMILESCC.CC.NC1CCC(CC2CCC(N)CC2)CC1
InChIInChI=1S/C13H26N2.2C2H6/c14-12-5-1-10(2-6-12)9-11-3-7-13(15)8-4-11;2*1-2/h10-13H,1-9,14-15H2;2*1-2H3
InChIKeyMAMQPICXZNMNDX-UHFFFAOYSA-N
MW270.50 g/mol
LogP4.46
Rot. Bonds2

About 4-[(4-aminocyclohexyl)methyl]cyclohexan-1-amine;ethane

4-[(4-aminocyclohexyl)methyl]cyclohexan-1-amine;ethane (PubChem CID 159510225) has the molecular formula C17H38N2 and a molecular weight of 270.50 g/mol. Its IUPAC name is 4-[(4-aminocyclohexyl)methyl]cyclohexan-1-amine;ethane.

Molecular Properties

Compound Name4-[(4-aminocyclohexyl)methyl]cyclohexan-1-amine;ethane
PubChem CID159510225
Molecular FormulaC17H38N2
Molecular Weight270.50 g/mol
Exact Mass270.30
IUPAC Name4-[(4-aminocyclohexyl)methyl]cyclohexan-1-amine;ethane
SMILESCC.CC.NC1CCC(CC2CCC(N)CC2)CC1
InChIInChI=1S/C13H26N2.2C2H6/c14-12-5-1-10(2-6-12)9-11-3-7-13(15)8-4-11;2*1-2/h10-13H,1-9,14-15H2;2*1-2H3
InChIKeyMAMQPICXZNMNDX-UHFFFAOYSA-N
XLogP4.46
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.50
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(cyclopropylmethyl)cyclohexan-1-amine
CID 126845684
4-[(4-aminocyclohexyl)methyl]cyclohexan-1-amine;hydrofluoride
CID 70522175
4-(cyclopentylmethyl)cyclohexan-1-amine
CID 3523250
4-[[4-(aminomethyl)cyclohexyl]methyl]cyclohexan-1-amine
CID 54348885
[4-[(4-aminocyclohexyl)methyl]cyclohexyl]azanium
CID 146710523
ethane;1-methyl-4-[(4-methylcyclohexyl)methyl]cyclohexane
CID 143714212
4-[[4-[cyclohexyl(methyl)amino]cyclohexyl]methyl]cyclohexan-1-amine
CID 141217448
4-[4-(4-aminocyclohexyl)heptan-4-yl]cyclohexan-1-amine;4-[(4-aminocyclohexyl)methyl]cyclohexan-1-amine
CID 70405450
3-[(4-aminocyclohexyl)methyl]-4-methylcyclohexan-1-amine
CID 3020819
[4-[[4-[[4-[(4-aminocyclohexyl)methyl]cyclohexyl]amino]cyclohexyl]methyl]cyclohexyl]azanium
CID 163544073
ethane;4-methylcyclohexan-1-amine
CID 142937577
4-(2-bromoethyl)cyclohexan-1-amine
CID 68903730

Frequently Asked Questions

What is the IUPAC name of 4-[(4-aminocyclohexyl)methyl]cyclohexan-1-amine;ethane?
The IUPAC name of 4-[(4-aminocyclohexyl)methyl]cyclohexan-1-amine;ethane (CID 159510225) is 4-[(4-aminocyclohexyl)methyl]cyclohexan-1-amine;ethane.
What is the SMILES notation for 4-[(4-aminocyclohexyl)methyl]cyclohexan-1-amine;ethane?
The canonical SMILES for 4-[(4-aminocyclohexyl)methyl]cyclohexan-1-amine;ethane is CC.CC.NC1CCC(CC2CCC(N)CC2)CC1.
What is the InChIKey of 4-[(4-aminocyclohexyl)methyl]cyclohexan-1-amine;ethane?
The InChIKey is MAMQPICXZNMNDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2.2C2H6/c14-12-5-1-10(2-6-12)9-11-3-7-13(15)8-4-11;2*1-2/h10-13H,1-9,14-15H2;2*1-2H3.
What are the key properties of 4-[(4-aminocyclohexyl)methyl]cyclohexan-1-amine;ethane?
4-[(4-aminocyclohexyl)methyl]cyclohexan-1-amine;ethane has a molecular weight of 270.50 g/mol, XLogP of 4.46, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-aminocyclohexyl)methyl]cyclohexan-1-amine;ethane is sourced from PubChem (CID 159510225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).