N-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine

C16H29N5 — CID 106640259

IUPACN-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine
SMILESCC(C)Cn1ncnc1CN(CC1CCCNC1)C1CC1
InChIInChI=1S/C16H29N5/c1-13(2)9-21-16(18-12-19-21)11-20(15-5-6-15)10-14-4-3-7-17-8-14/h12-15,17H,3-11H2,1-2H3
InChIKeySWRGKHUOGWVXHP-UHFFFAOYSA-N
MW291.44 g/mol
LogP1.90
Rot. Bonds7

About N-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine

N-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine (PubChem CID 106640259) has the molecular formula C16H29N5 and a molecular weight of 291.44 g/mol. Its IUPAC name is N-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine
PubChem CID106640259
Molecular FormulaC16H29N5
Molecular Weight291.44 g/mol
Exact Mass291.24
IUPAC NameN-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine
SMILESCC(C)Cn1ncnc1CN(CC1CCCNC1)C1CC1
InChIInChI=1S/C16H29N5/c1-13(2)9-21-16(18-12-19-21)11-20(15-5-6-15)10-14-4-3-7-17-8-14/h12-15,17H,3-11H2,1-2H3
InChIKeySWRGKHUOGWVXHP-UHFFFAOYSA-N
XLogP1.90
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-4-piperidin-3-ylbutan-2-one
CID 116562412
N-(2-chloroethyl)-N-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]cyclobutanamine
CID 102861301
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine
CID 103815917
N-[(3,5-dimethylphenyl)methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine
CID 106624936
N-(1H-imidazol-5-ylmethyl)-N-(piperidin-3-ylmethyl)cyclopropanamine
CID 106639662
N-benzyl-N-[[(3R)-piperidin-3-yl]methyl]cyclopropanamine
CID 96555707
3-[2-(2-ethyl-1,2,4-triazol-3-yl)ethyl]piperidine
CID 62695306
N-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine
CID 106639763
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine
CID 106624973
N-ethyl-N-(piperidin-3-ylmethyl)-4-propan-2-ylcyclohexan-1-amine
CID 106624491
N-[[4-(difluoromethyl)phenyl]methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine
CID 106624895
(2S)-2-methyl-1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]piperazine
CID 82755900

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine?
The IUPAC name of N-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine (CID 106640259) is N-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine.
What is the SMILES notation for N-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine?
The canonical SMILES for N-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine is CC(C)Cn1ncnc1CN(CC1CCCNC1)C1CC1.
What is the InChIKey of N-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine?
The InChIKey is SWRGKHUOGWVXHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N5/c1-13(2)9-21-16(18-12-19-21)11-20(15-5-6-15)10-14-4-3-7-17-8-14/h12-15,17H,3-11H2,1-2H3.
What are the key properties of N-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine?
N-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine has a molecular weight of 291.44 g/mol, XLogP of 1.90, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine is sourced from PubChem (CID 106640259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).