4-[4-[3-(cyclopropylmethoxy)-2-pyridinyl]-1,4-diazepan-1-yl]cyclohexan-1-amine

C20H32N4O — CID 143302173

IUPAC4-[4-[3-(cyclopropylmethoxy)-2-pyridinyl]-1,4-diazepan-1-yl]cyclohexan-1-amine
SMILESNC1CCC(N2CCCN(c3ncccc3OCC3CC3)CC2)CC1
InChIInChI=1S/C20H32N4O/c21-17-6-8-18(9-7-17)23-11-2-12-24(14-13-23)20-19(3-1-10-22-20)25-15-16-4-5-16/h1,3,10,16-18H,2,4-9,11-15,21H2
InChIKeyXOZQOJDRZXOQAU-UHFFFAOYSA-N
MW344.50 g/mol
LogP2.65
Rot. Bonds5

About 4-[4-[3-(cyclopropylmethoxy)-2-pyridinyl]-1,4-diazepan-1-yl]cyclohexan-1-amine

4-[4-[3-(cyclopropylmethoxy)-2-pyridinyl]-1,4-diazepan-1-yl]cyclohexan-1-amine (PubChem CID 143302173) has the molecular formula C20H32N4O and a molecular weight of 344.50 g/mol. Its IUPAC name is 4-[4-[3-(cyclopropylmethoxy)-2-pyridinyl]-1,4-diazepan-1-yl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-[4-[3-(cyclopropylmethoxy)-2-pyridinyl]-1,4-diazepan-1-yl]cyclohexan-1-amine
PubChem CID143302173
Molecular FormulaC20H32N4O
Molecular Weight344.50 g/mol
Exact Mass344.26
IUPAC Name4-[4-[3-(cyclopropylmethoxy)-2-pyridinyl]-1,4-diazepan-1-yl]cyclohexan-1-amine
SMILESNC1CCC(N2CCCN(c3ncccc3OCC3CC3)CC2)CC1
InChIInChI=1S/C20H32N4O/c21-17-6-8-18(9-7-17)23-11-2-12-24(14-13-23)20-19(3-1-10-22-20)25-15-16-4-5-16/h1,3,10,16-18H,2,4-9,11-15,21H2
InChIKeyXOZQOJDRZXOQAU-UHFFFAOYSA-N
XLogP2.65
TPSA54.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[4-[3-(cyclopropylmethoxy)-2-pyridinyl]-1,4-diazepan-1-yl]cyclohexan-1-amine with MolForge

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Related Compounds

(5-chloro-2-fluorophenyl)sulfonyl-[[4-[4-[3-(cyclopropylmethoxy)-2-pyridinyl]piperazin-1-yl]cyclohexyl]methyl]azanide
CID 163570408
5-chloro-N-[4-[4-[3-(cyclopropylmethoxy)-2-pyridinyl]piperazin-1-yl]cyclohexyl]-2-methoxybenzenesulfonamide;ethane
CID 143302191
4-(4-pyridin-2-ylpiperazin-1-yl)cyclohexan-1-amine
CID 15045421
2-chloro-3-(cyclohexylmethoxy)pyridine
CID 65101918
1-[1-(3-ethoxy-2-pyridinyl)piperidin-4-yl]ethanamine
CID 113370657
1-[1-(3-ethoxy-2-pyridinyl)piperidin-4-yl]pyrazol-3-amine
CID 107110311
2-[1-(3-ethoxy-2-pyridinyl)piperidin-3-yl]ethanol
CID 113371177
4-[4-(2-methoxyphenyl)piperazin-1-yl]cyclohexan-1-amine
CID 10708578
3-(cyclohexylmethoxy)pyridine-2-carbaldehyde
CID 171364232
cyclohexylmethyl 2-pyrrolidin-1-ylpyridine-3-carboxylate
CID 55527421
1-(3-chloro-2-pyridinyl)piperidin-4-amine;hydrochloride
CID 69359259
2-[4-(4-ethylcyclohexyl)piperazin-1-yl]pyrimidine
CID 5143216

Frequently Asked Questions

What is the IUPAC name of 4-[4-[3-(cyclopropylmethoxy)-2-pyridinyl]-1,4-diazepan-1-yl]cyclohexan-1-amine?
The IUPAC name of 4-[4-[3-(cyclopropylmethoxy)-2-pyridinyl]-1,4-diazepan-1-yl]cyclohexan-1-amine (CID 143302173) is 4-[4-[3-(cyclopropylmethoxy)-2-pyridinyl]-1,4-diazepan-1-yl]cyclohexan-1-amine.
What is the SMILES notation for 4-[4-[3-(cyclopropylmethoxy)-2-pyridinyl]-1,4-diazepan-1-yl]cyclohexan-1-amine?
The canonical SMILES for 4-[4-[3-(cyclopropylmethoxy)-2-pyridinyl]-1,4-diazepan-1-yl]cyclohexan-1-amine is NC1CCC(N2CCCN(c3ncccc3OCC3CC3)CC2)CC1.
What is the InChIKey of 4-[4-[3-(cyclopropylmethoxy)-2-pyridinyl]-1,4-diazepan-1-yl]cyclohexan-1-amine?
The InChIKey is XOZQOJDRZXOQAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O/c21-17-6-8-18(9-7-17)23-11-2-12-24(14-13-23)20-19(3-1-10-22-20)25-15-16-4-5-16/h1,3,10,16-18H,2,4-9,11-15,21H2.
What are the key properties of 4-[4-[3-(cyclopropylmethoxy)-2-pyridinyl]-1,4-diazepan-1-yl]cyclohexan-1-amine?
4-[4-[3-(cyclopropylmethoxy)-2-pyridinyl]-1,4-diazepan-1-yl]cyclohexan-1-amine has a molecular weight of 344.50 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[3-(cyclopropylmethoxy)-2-pyridinyl]-1,4-diazepan-1-yl]cyclohexan-1-amine is sourced from PubChem (CID 143302173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).