N,N-dicyclohexyl-4,6-dimorpholin-4-yl-1,3,5-triazinan-1-ium-2-amine

C23H45N6O2+ — CID 163179966

IUPACN,N-dicyclohexyl-4,6-dimorpholin-4-yl-1,3,5-triazinan-1-ium-2-amine
SMILESC1CCC(N(C2CCCCC2)C2NC(N3CCOCC3)NC(N3CCOCC3)[NH2+]2)CC1
InChIInChI=1S/C23H44N6O2/c1-3-7-19(8-4-1)29(20-9-5-2-6-10-20)23-25-21(27-11-15-30-16-12-27)24-22(26-23)28-13-17-31-18-14-28/h19-26H,1-18H2/p+1
InChIKeyXYYBYKAXZGWRDO-UHFFFAOYSA-O
MW437.65 g/mol
LogP0.23
Rot. Bonds5

About N,N-dicyclohexyl-4,6-dimorpholin-4-yl-1,3,5-triazinan-1-ium-2-amine

N,N-dicyclohexyl-4,6-dimorpholin-4-yl-1,3,5-triazinan-1-ium-2-amine (PubChem CID 163179966) has the molecular formula C23H45N6O2+ and a molecular weight of 437.65 g/mol. Its IUPAC name is N,N-dicyclohexyl-4,6-dimorpholin-4-yl-1,3,5-triazinan-1-ium-2-amine.

Molecular Properties

Compound NameN,N-dicyclohexyl-4,6-dimorpholin-4-yl-1,3,5-triazinan-1-ium-2-amine
PubChem CID163179966
Molecular FormulaC23H45N6O2+
Molecular Weight437.65 g/mol
Exact Mass437.36
IUPAC NameN,N-dicyclohexyl-4,6-dimorpholin-4-yl-1,3,5-triazinan-1-ium-2-amine
SMILESC1CCC(N(C2CCCCC2)C2NC(N3CCOCC3)NC(N3CCOCC3)[NH2+]2)CC1
InChIInChI=1S/C23H44N6O2/c1-3-7-19(8-4-1)29(20-9-5-2-6-10-20)23-25-21(27-11-15-30-16-12-27)24-22(26-23)28-13-17-31-18-14-28/h19-26H,1-18H2/p+1
InChIKeyXYYBYKAXZGWRDO-UHFFFAOYSA-O
XLogP0.23
TPSA68.85 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.65
LogP ≤ 50.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N,N-dicyclohexylmorpholin-4-amine
CID 139559986
4-(azocan-2-yl)morpholine
CID 70413197
2-(1,4-oxazepan-4-yl)cyclododecan-1-ol
CID 62972583
N,N-dicyclohexylcyclohexanamine
CID 175770337
4-(6-bicyclo[3.1.0]hexanyl)morpholine
CID 12811780
4-(2-piperazin-1-ylcyclopentyl)morpholine
CID 121209586
4-[(1R,3S)-3-methylcyclohexyl]morpholine
CID 31196445
4-[(1S,4S)-4-methylcycloheptyl]morpholine
CID 143263488
(3S,4S)-1-cycloheptyl-4-morpholin-4-ylpyrrolidin-3-ol
CID 131903256
N-methyl-2-(1,4-oxazepan-4-yl)cyclooctan-1-amine
CID 62988145
2-(1,4-oxazepan-4-yl)cycloheptan-1-one
CID 62988801
2-morpholin-4-ylpiperidine-1-carbaldehyde
CID 123830981

Frequently Asked Questions

What is the IUPAC name of N,N-dicyclohexyl-4,6-dimorpholin-4-yl-1,3,5-triazinan-1-ium-2-amine?
The IUPAC name of N,N-dicyclohexyl-4,6-dimorpholin-4-yl-1,3,5-triazinan-1-ium-2-amine (CID 163179966) is N,N-dicyclohexyl-4,6-dimorpholin-4-yl-1,3,5-triazinan-1-ium-2-amine.
What is the SMILES notation for N,N-dicyclohexyl-4,6-dimorpholin-4-yl-1,3,5-triazinan-1-ium-2-amine?
The canonical SMILES for N,N-dicyclohexyl-4,6-dimorpholin-4-yl-1,3,5-triazinan-1-ium-2-amine is C1CCC(N(C2CCCCC2)C2NC(N3CCOCC3)NC(N3CCOCC3)[NH2+]2)CC1.
What is the InChIKey of N,N-dicyclohexyl-4,6-dimorpholin-4-yl-1,3,5-triazinan-1-ium-2-amine?
The InChIKey is XYYBYKAXZGWRDO-UHFFFAOYSA-O. The full InChI is InChI=1S/C23H44N6O2/c1-3-7-19(8-4-1)29(20-9-5-2-6-10-20)23-25-21(27-11-15-30-16-12-27)24-22(26-23)28-13-17-31-18-14-28/h19-26H,1-18H2/p+1.
What are the key properties of N,N-dicyclohexyl-4,6-dimorpholin-4-yl-1,3,5-triazinan-1-ium-2-amine?
N,N-dicyclohexyl-4,6-dimorpholin-4-yl-1,3,5-triazinan-1-ium-2-amine has a molecular weight of 437.65 g/mol, XLogP of 0.23, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dicyclohexyl-4,6-dimorpholin-4-yl-1,3,5-triazinan-1-ium-2-amine is sourced from PubChem (CID 163179966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).