N-[(1R)-1-[4-(5-methyl-1,2,4-oxadiazolidin-3-yl)cyclohexyl]ethyl]piperazin-2-amine

C15H31N5O — CID 162464370

IUPACN-[(1R)-1-[4-(5-methyl-1,2,4-oxadiazolidin-3-yl)cyclohexyl]ethyl]piperazin-2-amine
SMILESCC1NC(C2CCC([C@@H](C)NC3CNCCN3)CC2)NO1
InChIInChI=1S/C15H31N5O/c1-10(18-14-9-16-7-8-17-14)12-3-5-13(6-4-12)15-19-11(2)21-20-15/h10-20H,3-9H2,1-2H3/t10-,11?,12?,13?,14?,15?/m1/s1
InChIKeyDLDLIGNAHVDUAH-IBEXFIOLSA-N
MW297.45 g/mol
LogP0.09
Rot. Bonds4

About N-[(1R)-1-[4-(5-methyl-1,2,4-oxadiazolidin-3-yl)cyclohexyl]ethyl]piperazin-2-amine

N-[(1R)-1-[4-(5-methyl-1,2,4-oxadiazolidin-3-yl)cyclohexyl]ethyl]piperazin-2-amine (PubChem CID 162464370) has the molecular formula C15H31N5O and a molecular weight of 297.45 g/mol. Its IUPAC name is N-[(1R)-1-[4-(5-methyl-1,2,4-oxadiazolidin-3-yl)cyclohexyl]ethyl]piperazin-2-amine.

Molecular Properties

Compound NameN-[(1R)-1-[4-(5-methyl-1,2,4-oxadiazolidin-3-yl)cyclohexyl]ethyl]piperazin-2-amine
PubChem CID162464370
Molecular FormulaC15H31N5O
Molecular Weight297.45 g/mol
Exact Mass297.25
IUPAC NameN-[(1R)-1-[4-(5-methyl-1,2,4-oxadiazolidin-3-yl)cyclohexyl]ethyl]piperazin-2-amine
SMILESCC1NC(C2CCC([C@@H](C)NC3CNCCN3)CC2)NO1
InChIInChI=1S/C15H31N5O/c1-10(18-14-9-16-7-8-17-14)12-3-5-13(6-4-12)15-19-11(2)21-20-15/h10-20H,3-9H2,1-2H3/t10-,11?,12?,13?,14?,15?/m1/s1
InChIKeyDLDLIGNAHVDUAH-IBEXFIOLSA-N
XLogP0.09
TPSA69.38 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.45
LogP ≤ 50.09
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Analyze N-[(1R)-1-[4-(5-methyl-1,2,4-oxadiazolidin-3-yl)cyclohexyl]ethyl]piperazin-2-amine with MolForge

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Related Compounds

N-[(1R)-1-[4-[5-(3-methyl-1,2-oxazolidin-5-yl)-1,2,4-oxadiazolidin-3-yl]cyclohexyl]ethyl]piperazin-2-amine
CID 162464400
N-[(1R)-1-[4-[5-(oxolan-2-yl)-1,2,4-oxadiazolidin-3-yl]cyclohexyl]ethyl]piperazin-2-amine
CID 162464397
N-propan-2-ylpiperazin-2-amine
CID 90744079
3-hydroxy-N-[[4-(5-methyl-1,2,4-oxadiazolidin-3-yl)cyclohexyl]methyl]piperidine-4-carboxamide
CID 153384028
N-[[2-fluoro-4-(5-methyl-1,2,4-oxadiazolidin-3-yl)phenyl]methyl]piperazin-2-amine
CID 153384030
N-[(1R)-1-cycloheptylethyl]piperidin-4-amine
CID 81391963
2-(difluoromethyl)-N-[(1R)-5-(5-methyl-1,2,4-oxadiazolidin-3-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]piperidine-4-carboxamide
CID 153424206
N-[(1R)-1-cyclopropylethyl]cyclopropanamine
CID 28819115
N-(1-cyclopropylethyl)bicyclo[3.1.0]hexan-2-amine
CID 130496523
(3R)-N-propan-2-ylpyrrolidin-3-amine
CID 53346611
(3S,4R)-4-fluoro-N-propan-2-ylpiperidin-3-amine
CID 164821452
N-(1-cyclopropylethyl)bicyclo[2.2.1]heptan-2-amine
CID 61308965

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[4-(5-methyl-1,2,4-oxadiazolidin-3-yl)cyclohexyl]ethyl]piperazin-2-amine?
The IUPAC name of N-[(1R)-1-[4-(5-methyl-1,2,4-oxadiazolidin-3-yl)cyclohexyl]ethyl]piperazin-2-amine (CID 162464370) is N-[(1R)-1-[4-(5-methyl-1,2,4-oxadiazolidin-3-yl)cyclohexyl]ethyl]piperazin-2-amine.
What is the SMILES notation for N-[(1R)-1-[4-(5-methyl-1,2,4-oxadiazolidin-3-yl)cyclohexyl]ethyl]piperazin-2-amine?
The canonical SMILES for N-[(1R)-1-[4-(5-methyl-1,2,4-oxadiazolidin-3-yl)cyclohexyl]ethyl]piperazin-2-amine is CC1NC(C2CCC([C@@H](C)NC3CNCCN3)CC2)NO1.
What is the InChIKey of N-[(1R)-1-[4-(5-methyl-1,2,4-oxadiazolidin-3-yl)cyclohexyl]ethyl]piperazin-2-amine?
The InChIKey is DLDLIGNAHVDUAH-IBEXFIOLSA-N. The full InChI is InChI=1S/C15H31N5O/c1-10(18-14-9-16-7-8-17-14)12-3-5-13(6-4-12)15-19-11(2)21-20-15/h10-20H,3-9H2,1-2H3/t10-,11?,12?,13?,14?,15?/m1/s1.
What are the key properties of N-[(1R)-1-[4-(5-methyl-1,2,4-oxadiazolidin-3-yl)cyclohexyl]ethyl]piperazin-2-amine?
N-[(1R)-1-[4-(5-methyl-1,2,4-oxadiazolidin-3-yl)cyclohexyl]ethyl]piperazin-2-amine has a molecular weight of 297.45 g/mol, XLogP of 0.09, 4 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[4-(5-methyl-1,2,4-oxadiazolidin-3-yl)cyclohexyl]ethyl]piperazin-2-amine is sourced from PubChem (CID 162464370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).