N-[2-(1-methylpyrrolidin-2-yl)ethyl]-2-(1-phenyltriazol-4-yl)propan-2-amine

C18H27N5 — CID 75521521

IUPACN-[2-(1-methylpyrrolidin-2-yl)ethyl]-2-(1-phenyltriazol-4-yl)propan-2-amine
SMILESCN1CCCC1CCNC(C)(C)c1cn(-c2ccccc2)nn1
InChIInChI=1S/C18H27N5/c1-18(2,19-12-11-15-10-7-13-22(15)3)17-14-23(21-20-17)16-8-5-4-6-9-16/h4-6,8-9,14-15,19H,7,10-13H2,1-3H3
InChIKeyHRYSLPKQVCGKAC-UHFFFAOYSA-N
MW313.45 g/mol
LogP2.58
Rot. Bonds6

About N-[2-(1-methylpyrrolidin-2-yl)ethyl]-2-(1-phenyltriazol-4-yl)propan-2-amine

N-[2-(1-methylpyrrolidin-2-yl)ethyl]-2-(1-phenyltriazol-4-yl)propan-2-amine (PubChem CID 75521521) has the molecular formula C18H27N5 and a molecular weight of 313.45 g/mol. Its IUPAC name is N-[2-(1-methylpyrrolidin-2-yl)ethyl]-2-(1-phenyltriazol-4-yl)propan-2-amine.

Molecular Properties

Compound NameN-[2-(1-methylpyrrolidin-2-yl)ethyl]-2-(1-phenyltriazol-4-yl)propan-2-amine
PubChem CID75521521
Molecular FormulaC18H27N5
Molecular Weight313.45 g/mol
Exact Mass313.23
IUPAC NameN-[2-(1-methylpyrrolidin-2-yl)ethyl]-2-(1-phenyltriazol-4-yl)propan-2-amine
SMILESCN1CCCC1CCNC(C)(C)c1cn(-c2ccccc2)nn1
InChIInChI=1S/C18H27N5/c1-18(2,19-12-11-15-10-7-13-22(15)3)17-14-23(21-20-17)16-8-5-4-6-9-16/h4-6,8-9,14-15,19H,7,10-13H2,1-3H3
InChIKeyHRYSLPKQVCGKAC-UHFFFAOYSA-N
XLogP2.58
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.45
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(benzotriazol-2-ylmethyl)-2-(1-methylpyrrolidin-2-yl)ethanamine
CID 68668824
N-[2-(1-methylpyrrolidin-2-yl)ethyl]pyridin-2-amine
CID 141285669
N-[(1-methylpyrrolidin-2-yl)methyl]-1-phenyltetrazol-5-amine
CID 106026908
N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzamide
CID 70840667
2-amino-N-[2-(1-phenyltriazol-4-yl)propan-2-yl]acetamide
CID 119345024
2-(1-phenyltriazol-4-yl)propan-2-amine;hydrochloride
CID 71755859
4-[2-(1-phenyltriazol-4-yl)propan-2-ylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 122024393
2-[2-(1,1-diphenylethoxy)ethyl]-1-methylpyrrolidine
CID 69304203
N-[2-(1-methylpyrrolidin-2-yl)ethyl]-4-phenyl-6-(trichloromethyl)-1,3,5-triazin-2-amine
CID 85472538
N-benzyl-3-(1-methylpyrrolidin-2-yl)propan-1-amine
CID 102569971
1-methyl-2-(3-phenylpropyl)pyrrolidine
CID 15758084
N-[2-(1-methylpyrrolidin-2-yl)ethyl]-4-(trichloromethyl)pyrimidin-2-amine
CID 558432

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methylpyrrolidin-2-yl)ethyl]-2-(1-phenyltriazol-4-yl)propan-2-amine?
The IUPAC name of N-[2-(1-methylpyrrolidin-2-yl)ethyl]-2-(1-phenyltriazol-4-yl)propan-2-amine (CID 75521521) is N-[2-(1-methylpyrrolidin-2-yl)ethyl]-2-(1-phenyltriazol-4-yl)propan-2-amine.
What is the SMILES notation for N-[2-(1-methylpyrrolidin-2-yl)ethyl]-2-(1-phenyltriazol-4-yl)propan-2-amine?
The canonical SMILES for N-[2-(1-methylpyrrolidin-2-yl)ethyl]-2-(1-phenyltriazol-4-yl)propan-2-amine is CN1CCCC1CCNC(C)(C)c1cn(-c2ccccc2)nn1.
What is the InChIKey of N-[2-(1-methylpyrrolidin-2-yl)ethyl]-2-(1-phenyltriazol-4-yl)propan-2-amine?
The InChIKey is HRYSLPKQVCGKAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5/c1-18(2,19-12-11-15-10-7-13-22(15)3)17-14-23(21-20-17)16-8-5-4-6-9-16/h4-6,8-9,14-15,19H,7,10-13H2,1-3H3.
What are the key properties of N-[2-(1-methylpyrrolidin-2-yl)ethyl]-2-(1-phenyltriazol-4-yl)propan-2-amine?
N-[2-(1-methylpyrrolidin-2-yl)ethyl]-2-(1-phenyltriazol-4-yl)propan-2-amine has a molecular weight of 313.45 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methylpyrrolidin-2-yl)ethyl]-2-(1-phenyltriazol-4-yl)propan-2-amine is sourced from PubChem (CID 75521521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).