N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride

C17H31ClN4O — CID 120914752

IUPACN-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
SMILESCC(C)Cn1ccnc1CNC1CCCC1C1COCCN1.Cl
InChIInChI=1S/C17H30N4O.ClH/c1-13(2)11-21-8-6-19-17(21)10-20-15-5-3-4-14(15)16-12-22-9-7-18-16;/h6,8,13-16,18,20H,3-5,7,9-12H2,1-2H3;1H
InChIKeyFEVUDPLPNWSMRS-UHFFFAOYSA-N
MW342.92 g/mol
LogP2.21
Rot. Bonds6

About N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride

N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride (PubChem CID 120914752) has the molecular formula C17H31ClN4O and a molecular weight of 342.92 g/mol. Its IUPAC name is N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride.

Molecular Properties

Compound NameN-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
PubChem CID120914752
Molecular FormulaC17H31ClN4O
Molecular Weight342.92 g/mol
Exact Mass342.22
IUPAC NameN-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
SMILESCC(C)Cn1ccnc1CNC1CCCC1C1COCCN1.Cl
InChIInChI=1S/C17H30N4O.ClH/c1-13(2)11-21-8-6-19-17(21)10-20-15-5-3-4-14(15)16-12-22-9-7-18-16;/h6,8,13-16,18,20H,3-5,7,9-12H2,1-2H3;1H
InChIKeyFEVUDPLPNWSMRS-UHFFFAOYSA-N
XLogP2.21
TPSA51.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.92
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride with MolForge

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Related Compounds

N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
CID 120915580
N-[(2-methylpyrazol-3-yl)methyl]-2-morpholin-3-ylcyclopentan-1-amine
CID 120915279
N-(cyclopentylmethyl)-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
CID 120915794
N-[(3-methylthiophen-2-yl)methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
CID 120913878
N-[(5-fluoro-2-methylsulfanylphenyl)methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
CID 120915014
2-morpholin-3-yl-N-[(2-propan-2-yloxyphenyl)methyl]cyclopentan-1-amine
CID 120914019
N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
CID 120916408
N-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-2-morpholin-3-ylcyclopentan-1-amine
CID 120915389
N-[(4-fluoro-3-methylphenyl)methyl]-2-morpholin-3-ylcyclopentan-1-amine
CID 120914901
N-(2-methylsulfanylpropyl)-2-morpholin-3-ylcyclopentan-1-amine
CID 120916191
2-morpholin-3-yl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]cyclopentan-1-amine
CID 120915183
N-[[1-(2-methylpropyl)cyclopropyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine
CID 120916095

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride?
The IUPAC name of N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride (CID 120914752) is N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride.
What is the SMILES notation for N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride?
The canonical SMILES for N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride is CC(C)Cn1ccnc1CNC1CCCC1C1COCCN1.Cl.
What is the InChIKey of N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride?
The InChIKey is FEVUDPLPNWSMRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O.ClH/c1-13(2)11-21-8-6-19-17(21)10-20-15-5-3-4-14(15)16-12-22-9-7-18-16;/h6,8,13-16,18,20H,3-5,7,9-12H2,1-2H3;1H.
What are the key properties of N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride?
N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride has a molecular weight of 342.92 g/mol, XLogP of 2.21, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride is sourced from PubChem (CID 120914752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).