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

C15H29N5 — CID 106632071

IUPACN-(piperidin-2-ylmethyl)-N-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]propan-2-amine
SMILESCC(C)N(Cc1ncnn1C(C)C)CC1CCCCN1
InChIInChI=1S/C15H29N5/c1-12(2)19(9-14-7-5-6-8-16-14)10-15-17-11-18-20(15)13(3)4/h11-14,16H,5-10H2,1-4H3
InChIKeyYBJZAEYVKWNVJG-UHFFFAOYSA-N
MW279.43 g/mol
LogP2.21
Rot. Bonds6

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

N-(piperidin-2-ylmethyl)-N-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]propan-2-amine (PubChem CID 106632071) has the molecular formula C15H29N5 and a molecular weight of 279.43 g/mol. Its IUPAC name is N-(piperidin-2-ylmethyl)-N-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-(piperidin-2-ylmethyl)-N-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]propan-2-amine
PubChem CID106632071
Molecular FormulaC15H29N5
Molecular Weight279.43 g/mol
Exact Mass279.24
IUPAC NameN-(piperidin-2-ylmethyl)-N-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]propan-2-amine
SMILESCC(C)N(Cc1ncnn1C(C)C)CC1CCCCN1
InChIInChI=1S/C15H29N5/c1-12(2)19(9-14-7-5-6-8-16-14)10-15-17-11-18-20(15)13(3)4/h11-14,16H,5-10H2,1-4H3
InChIKeyYBJZAEYVKWNVJG-UHFFFAOYSA-N
XLogP2.21
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

N-(pyrimidin-4-ylmethyl)-N-(pyrrolidin-2-ylmethyl)propan-2-amine
CID 106603001
N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-(piperidin-2-ylmethyl)propan-2-amine
CID 106622204
N-[(4,6-dichloro-3-pyridinyl)methyl]-N-(piperidin-2-ylmethyl)propan-2-amine
CID 106632234
N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-N-(piperidin-2-ylmethyl)propan-2-amine
CID 106632096
N-[(4-iodophenyl)methyl]-N-(piperidin-2-ylmethyl)propan-2-amine
CID 106631924
N-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-N-(piperidin-2-ylmethyl)propan-2-amine
CID 106632134
N-ethyl-N-[[(2S)-piperidin-2-yl]methyl]propan-2-amine;molecular hydrogen
CID 164555849
N-[(2,6-dichlorophenyl)methyl]-N-(piperidin-2-ylmethyl)propan-2-amine
CID 106622184
N-[(4-methyl-3-pyridinyl)methyl]-N-(piperidin-2-ylmethyl)propan-2-amine
CID 106621945
N-methyl-N-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]azepan-4-amine
CID 107173415
N-(2,2-difluoro-2-phenylethyl)-N-(piperidin-2-ylmethyl)propan-2-amine
CID 106632139
N-[2-(2-methylpyrazol-3-yl)ethyl]-N-(piperidin-2-ylmethyl)propan-2-amine
CID 106632084

Frequently Asked Questions

What is the IUPAC name of N-(piperidin-2-ylmethyl)-N-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]propan-2-amine?
The IUPAC name of N-(piperidin-2-ylmethyl)-N-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]propan-2-amine (CID 106632071) is N-(piperidin-2-ylmethyl)-N-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]propan-2-amine.
What is the SMILES notation for N-(piperidin-2-ylmethyl)-N-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]propan-2-amine?
The canonical SMILES for N-(piperidin-2-ylmethyl)-N-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]propan-2-amine is CC(C)N(Cc1ncnn1C(C)C)CC1CCCCN1.
What is the InChIKey of N-(piperidin-2-ylmethyl)-N-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]propan-2-amine?
The InChIKey is YBJZAEYVKWNVJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N5/c1-12(2)19(9-14-7-5-6-8-16-14)10-15-17-11-18-20(15)13(3)4/h11-14,16H,5-10H2,1-4H3.
What are the key properties of N-(piperidin-2-ylmethyl)-N-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]propan-2-amine?
N-(piperidin-2-ylmethyl)-N-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]propan-2-amine has a molecular weight of 279.43 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(piperidin-2-ylmethyl)-N-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]propan-2-amine is sourced from PubChem (CID 106632071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).