N-[[4-[2-(cyclohexylamino)ethyl]morpholin-2-yl]methyl]pyridazin-3-amine

C17H29N5O — CID 71872217

IUPACN-[[4-[2-(cyclohexylamino)ethyl]morpholin-2-yl]methyl]pyridazin-3-amine
SMILESc1cnnc(NCC2CN(CCNC3CCCCC3)CCO2)c1
InChIInChI=1S/C17H29N5O/c1-2-5-15(6-3-1)18-9-10-22-11-12-23-16(14-22)13-19-17-7-4-8-20-21-17/h4,7-8,15-16,18H,1-3,5-6,9-14H2,(H,19,21)
InChIKeyWZAHKNPXKSXDBN-UHFFFAOYSA-N
MW319.45 g/mol
LogP1.51
Rot. Bonds7

About N-[[4-[2-(cyclohexylamino)ethyl]morpholin-2-yl]methyl]pyridazin-3-amine

N-[[4-[2-(cyclohexylamino)ethyl]morpholin-2-yl]methyl]pyridazin-3-amine (PubChem CID 71872217) has the molecular formula C17H29N5O and a molecular weight of 319.45 g/mol. Its IUPAC name is N-[[4-[2-(cyclohexylamino)ethyl]morpholin-2-yl]methyl]pyridazin-3-amine.

Molecular Properties

Compound NameN-[[4-[2-(cyclohexylamino)ethyl]morpholin-2-yl]methyl]pyridazin-3-amine
PubChem CID71872217
Molecular FormulaC17H29N5O
Molecular Weight319.45 g/mol
Exact Mass319.24
IUPAC NameN-[[4-[2-(cyclohexylamino)ethyl]morpholin-2-yl]methyl]pyridazin-3-amine
SMILESc1cnnc(NCC2CN(CCNC3CCCCC3)CCO2)c1
InChIInChI=1S/C17H29N5O/c1-2-5-15(6-3-1)18-9-10-22-11-12-23-16(14-22)13-19-17-7-4-8-20-21-17/h4,7-8,15-16,18H,1-3,5-6,9-14H2,(H,19,21)
InChIKeyWZAHKNPXKSXDBN-UHFFFAOYSA-N
XLogP1.51
TPSA62.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-[2-[(pyridazin-3-ylamino)methyl]morpholin-4-yl]propyl]pyrrolidin-2-one
CID 71872215
N-[[4-(2-methylsulfonylethyl)morpholin-2-yl]methyl]pyridazin-3-amine
CID 71872271
N-[[(2R)-4-(oxan-4-ylmethyl)morpholin-2-yl]methyl]pyridazin-3-amine
CID 96512573
N-[[(2R)-4-(2-thiophen-2-ylethyl)morpholin-2-yl]methyl]pyridazin-3-amine
CID 96512563
N-[[4-[2-(2-fluorophenoxy)ethyl]morpholin-2-yl]methyl]pyridazin-3-amine
CID 71928034
N-[[(2R)-4-[2-(2-fluorophenoxy)ethyl]morpholin-2-yl]methyl]pyridazin-3-amine
CID 96512555
N-propan-2-yl-3-[(2R)-2-[(pyridazin-3-ylamino)methyl]morpholin-4-yl]propanamide
CID 96512499
N-[[4-(oxolan-3-ylmethyl)morpholin-2-yl]methyl]pyridazin-3-amine
CID 71872272
N-[[4-[(5-methyl-1,3-oxazol-2-yl)methyl]morpholin-2-yl]methyl]pyridazin-3-amine
CID 71872216
N-[[(2S)-4-(1,2-oxazol-3-ylmethyl)morpholin-2-yl]methyl]pyridazin-3-amine
CID 96512678
N-[[4-[(5-chlorothiophen-2-yl)methyl]morpholin-2-yl]methyl]pyridazin-3-amine
CID 71928020
(2S)-2-[[(2R)-2-[(pyridazin-3-ylamino)methyl]morpholin-4-yl]methyl]pentanedinitrile
CID 98775216

Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-(cyclohexylamino)ethyl]morpholin-2-yl]methyl]pyridazin-3-amine?
The IUPAC name of N-[[4-[2-(cyclohexylamino)ethyl]morpholin-2-yl]methyl]pyridazin-3-amine (CID 71872217) is N-[[4-[2-(cyclohexylamino)ethyl]morpholin-2-yl]methyl]pyridazin-3-amine.
What is the SMILES notation for N-[[4-[2-(cyclohexylamino)ethyl]morpholin-2-yl]methyl]pyridazin-3-amine?
The canonical SMILES for N-[[4-[2-(cyclohexylamino)ethyl]morpholin-2-yl]methyl]pyridazin-3-amine is c1cnnc(NCC2CN(CCNC3CCCCC3)CCO2)c1.
What is the InChIKey of N-[[4-[2-(cyclohexylamino)ethyl]morpholin-2-yl]methyl]pyridazin-3-amine?
The InChIKey is WZAHKNPXKSXDBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5O/c1-2-5-15(6-3-1)18-9-10-22-11-12-23-16(14-22)13-19-17-7-4-8-20-21-17/h4,7-8,15-16,18H,1-3,5-6,9-14H2,(H,19,21).
What are the key properties of N-[[4-[2-(cyclohexylamino)ethyl]morpholin-2-yl]methyl]pyridazin-3-amine?
N-[[4-[2-(cyclohexylamino)ethyl]morpholin-2-yl]methyl]pyridazin-3-amine has a molecular weight of 319.45 g/mol, XLogP of 1.51, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[2-(cyclohexylamino)ethyl]morpholin-2-yl]methyl]pyridazin-3-amine is sourced from PubChem (CID 71872217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).