4-(morpholin-4-ylmethyl)-1-N-propan-2-ylcyclohexane-1,2-diamine

C14H29N3O — CID 142901121

IUPAC4-(morpholin-4-ylmethyl)-1-N-propan-2-ylcyclohexane-1,2-diamine
SMILESCC(C)NC1CCC(CN2CCOCC2)CC1N
InChIInChI=1S/C14H29N3O/c1-11(2)16-14-4-3-12(9-13(14)15)10-17-5-7-18-8-6-17/h11-14,16H,3-10,15H2,1-2H3
InChIKeyABZGAUJMXLVIQA-UHFFFAOYSA-N
MW255.41 g/mol
LogP0.81
Rot. Bonds4

About 4-(morpholin-4-ylmethyl)-1-N-propan-2-ylcyclohexane-1,2-diamine

4-(morpholin-4-ylmethyl)-1-N-propan-2-ylcyclohexane-1,2-diamine (PubChem CID 142901121) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is 4-(morpholin-4-ylmethyl)-1-N-propan-2-ylcyclohexane-1,2-diamine.

Molecular Properties

Compound Name4-(morpholin-4-ylmethyl)-1-N-propan-2-ylcyclohexane-1,2-diamine
PubChem CID142901121
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name4-(morpholin-4-ylmethyl)-1-N-propan-2-ylcyclohexane-1,2-diamine
SMILESCC(C)NC1CCC(CN2CCOCC2)CC1N
InChIInChI=1S/C14H29N3O/c1-11(2)16-14-4-3-12(9-13(14)15)10-17-5-7-18-8-6-17/h11-14,16H,3-10,15H2,1-2H3
InChIKeyABZGAUJMXLVIQA-UHFFFAOYSA-N
XLogP0.81
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1-(Morpholin-4-yl)cyclohexyl)methanamine
CID 3157486
1-(Morpholin-4-ylmethyl)cyclohexanamine
CID 6484225
(4-Tert-butylcyclohexyl)[2-(4-morpholinyl)ethyl]amine
CID 758268
(4-Ethylcyclohexyl)[2-(4-morpholinyl)ethyl]amine
CID 782064
(4-Ethylcyclohexyl)[3-(4-morpholinyl)propyl]amine
CID 2058130
(4-Methylcyclohexyl)[3-(4-morpholinyl)propyl]amine
CID 2846678
4-methyl-N-(2-morpholin-4-ylethyl)cyclohexan-1-amine
CID 784225
3-methyl-N-(2-morpholin-4-ylethyl)cyclohexan-1-amine
CID 2846685
2-Cyclohexyl-2-(morpholin-4-yl)ethan-1-amine
CID 16784623
N-(2-morpholin-4-ylethyl)-2-propan-2-ylcyclohexan-1-amine
CID 75433468
N-(cyclohexylmethyl)-2-morpholin-4-ylethanamine
CID 3155090
N-(Cyclohexylmethyl)-3-morpholino-1-propanamine
CID 11184063

Frequently Asked Questions

What is the IUPAC name of 4-(morpholin-4-ylmethyl)-1-N-propan-2-ylcyclohexane-1,2-diamine?
The IUPAC name of 4-(morpholin-4-ylmethyl)-1-N-propan-2-ylcyclohexane-1,2-diamine (CID 142901121) is 4-(morpholin-4-ylmethyl)-1-N-propan-2-ylcyclohexane-1,2-diamine.
What is the SMILES notation for 4-(morpholin-4-ylmethyl)-1-N-propan-2-ylcyclohexane-1,2-diamine?
The canonical SMILES for 4-(morpholin-4-ylmethyl)-1-N-propan-2-ylcyclohexane-1,2-diamine is CC(C)NC1CCC(CN2CCOCC2)CC1N.
What is the InChIKey of 4-(morpholin-4-ylmethyl)-1-N-propan-2-ylcyclohexane-1,2-diamine?
The InChIKey is ABZGAUJMXLVIQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-11(2)16-14-4-3-12(9-13(14)15)10-17-5-7-18-8-6-17/h11-14,16H,3-10,15H2,1-2H3.
What are the key properties of 4-(morpholin-4-ylmethyl)-1-N-propan-2-ylcyclohexane-1,2-diamine?
4-(morpholin-4-ylmethyl)-1-N-propan-2-ylcyclohexane-1,2-diamine has a molecular weight of 255.41 g/mol, XLogP of 0.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(morpholin-4-ylmethyl)-1-N-propan-2-ylcyclohexane-1,2-diamine is sourced from PubChem (CID 142901121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).