N-(1,3-benzoxazol-2-ylmethyl)-N-(piperidin-2-ylmethyl)cyclopropanamine

C17H23N3O — CID 106631464

IUPACN-(1,3-benzoxazol-2-ylmethyl)-N-(piperidin-2-ylmethyl)cyclopropanamine
SMILESc1ccc2oc(CN(CC3CCCCN3)C3CC3)nc2c1
InChIInChI=1S/C17H23N3O/c1-2-7-16-15(6-1)19-17(21-16)12-20(14-8-9-14)11-13-5-3-4-10-18-13/h1-2,6-7,13-14,18H,3-5,8-12H2
InChIKeyCEFZVQSBBZIZDJ-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.93
Rot. Bonds5

About N-(1,3-benzoxazol-2-ylmethyl)-N-(piperidin-2-ylmethyl)cyclopropanamine

N-(1,3-benzoxazol-2-ylmethyl)-N-(piperidin-2-ylmethyl)cyclopropanamine (PubChem CID 106631464) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is N-(1,3-benzoxazol-2-ylmethyl)-N-(piperidin-2-ylmethyl)cyclopropanamine.

Molecular Properties

Compound NameN-(1,3-benzoxazol-2-ylmethyl)-N-(piperidin-2-ylmethyl)cyclopropanamine
PubChem CID106631464
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC NameN-(1,3-benzoxazol-2-ylmethyl)-N-(piperidin-2-ylmethyl)cyclopropanamine
SMILESc1ccc2oc(CN(CC3CCCCN3)C3CC3)nc2c1
InChIInChI=1S/C17H23N3O/c1-2-7-16-15(6-1)19-17(21-16)12-20(14-8-9-14)11-13-5-3-4-10-18-13/h1-2,6-7,13-14,18H,3-5,8-12H2
InChIKeyCEFZVQSBBZIZDJ-UHFFFAOYSA-N
XLogP2.93
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-piperidin-2-ylethyl)-1,3-benzoxazole
CID 62217382
N-(1,3-benzoxazol-2-ylmethyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106615684
2-(pyrrolidin-2-ylmethyl)-1,3-benzoxazole
CID 61372127
2-[1,3-benzoxazol-2-ylmethyl(cyclopropyl)amino]ethanol
CID 60967481
N-(piperidin-2-ylmethyl)-N-propan-2-yl-1,3-benzoxazol-2-amine
CID 106641412
N-(1,3-benzoxazol-2-ylmethyl)-N-[(2,5-dimethoxyphenyl)methyl]cyclopropanamine
CID 34980983
N-[(2,6-dichlorophenyl)methyl]-N-(piperidin-2-ylmethyl)cyclopropanamine
CID 106621780
N-(isoquinolin-4-ylmethyl)-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 104973999
N-(1,3-benzoxazol-2-ylmethyl)-N-propylpiperidin-3-amine
CID 63637335
N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)-1,3-benzoxazol-2-amine
CID 106620694
2-(pyrrolidin-2-ylmethoxy)-1,3-benzoxazole;hydrochloride
CID 71636950
N-(furan-2-ylmethyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]cyclopropanamine
CID 102819455

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzoxazol-2-ylmethyl)-N-(piperidin-2-ylmethyl)cyclopropanamine?
The IUPAC name of N-(1,3-benzoxazol-2-ylmethyl)-N-(piperidin-2-ylmethyl)cyclopropanamine (CID 106631464) is N-(1,3-benzoxazol-2-ylmethyl)-N-(piperidin-2-ylmethyl)cyclopropanamine.
What is the SMILES notation for N-(1,3-benzoxazol-2-ylmethyl)-N-(piperidin-2-ylmethyl)cyclopropanamine?
The canonical SMILES for N-(1,3-benzoxazol-2-ylmethyl)-N-(piperidin-2-ylmethyl)cyclopropanamine is c1ccc2oc(CN(CC3CCCCN3)C3CC3)nc2c1.
What is the InChIKey of N-(1,3-benzoxazol-2-ylmethyl)-N-(piperidin-2-ylmethyl)cyclopropanamine?
The InChIKey is CEFZVQSBBZIZDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-2-7-16-15(6-1)19-17(21-16)12-20(14-8-9-14)11-13-5-3-4-10-18-13/h1-2,6-7,13-14,18H,3-5,8-12H2.
What are the key properties of N-(1,3-benzoxazol-2-ylmethyl)-N-(piperidin-2-ylmethyl)cyclopropanamine?
N-(1,3-benzoxazol-2-ylmethyl)-N-(piperidin-2-ylmethyl)cyclopropanamine has a molecular weight of 285.39 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzoxazol-2-ylmethyl)-N-(piperidin-2-ylmethyl)cyclopropanamine is sourced from PubChem (CID 106631464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).