N-[[2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]cyclopentyl]methyl]-2-methylpropan-1-amine

C15H28N4 — CID 81027307

IUPACN-[[2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]cyclopentyl]methyl]-2-methylpropan-1-amine
SMILESCCn1ncnc1CC1CCCC1CNCC(C)C
InChIInChI=1S/C15H28N4/c1-4-19-15(17-11-18-19)8-13-6-5-7-14(13)10-16-9-12(2)3/h11-14,16H,4-10H2,1-3H3
InChIKeyPDTURPQEPRKNBO-UHFFFAOYSA-N
MW264.42 g/mol
LogP2.50
Rot. Bonds7

About N-[[2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]cyclopentyl]methyl]-2-methylpropan-1-amine

N-[[2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]cyclopentyl]methyl]-2-methylpropan-1-amine (PubChem CID 81027307) has the molecular formula C15H28N4 and a molecular weight of 264.42 g/mol. Its IUPAC name is N-[[2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]cyclopentyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]cyclopentyl]methyl]-2-methylpropan-1-amine
PubChem CID81027307
Molecular FormulaC15H28N4
Molecular Weight264.42 g/mol
Exact Mass264.23
IUPAC NameN-[[2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]cyclopentyl]methyl]-2-methylpropan-1-amine
SMILESCCn1ncnc1CC1CCCC1CNCC(C)C
InChIInChI=1S/C15H28N4/c1-4-19-15(17-11-18-19)8-13-6-5-7-14(13)10-16-9-12(2)3/h11-14,16H,4-10H2,1-3H3
InChIKeyPDTURPQEPRKNBO-UHFFFAOYSA-N
XLogP2.50
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]methanamine
CID 81011017
N-[[2-[(2-propyl-1,2,4-triazol-3-yl)methyl]cycloheptyl]methyl]propan-2-amine
CID 81035056
2-methyl-N-[[2-[(1-methylimidazol-2-yl)methyl]cycloheptyl]methyl]propan-1-amine
CID 81025135
2-methyl-N-[[4-methyl-2-[(2-methyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]methyl]propan-1-amine
CID 81031393
4-(2-ethyl-1,2,4-triazol-3-yl)-2,3-dimethyl-N-(2-methylpropyl)butan-1-amine
CID 81017782
N-[[2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclobutyl]methyl]propan-1-amine
CID 81016803
2-methyl-N-[[2-(pyridin-2-ylmethyl)cyclopentyl]methyl]propan-1-amine
CID 81028060
2-methyl-N-[[2-[(1-propylimidazol-2-yl)methyl]cyclobutyl]methyl]propan-1-amine
CID 81022292
N-[(2-benzylcyclopentyl)methyl]-2-methylpropan-1-amine
CID 81028227
2-methyl-N-[[2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclopentyl]methyl]propan-2-amine
CID 81026838
2-methyl-N-[[2-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclopentyl]methyl]propan-1-amine
CID 81028346
2-methyl-N-[[2-[(4-methylphenyl)methyl]cyclopentyl]methyl]propan-1-amine
CID 81027821

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]cyclopentyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]cyclopentyl]methyl]-2-methylpropan-1-amine (CID 81027307) is N-[[2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]cyclopentyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]cyclopentyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]cyclopentyl]methyl]-2-methylpropan-1-amine is CCn1ncnc1CC1CCCC1CNCC(C)C.
What is the InChIKey of N-[[2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]cyclopentyl]methyl]-2-methylpropan-1-amine?
The InChIKey is PDTURPQEPRKNBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4/c1-4-19-15(17-11-18-19)8-13-6-5-7-14(13)10-16-9-12(2)3/h11-14,16H,4-10H2,1-3H3.
What are the key properties of N-[[2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]cyclopentyl]methyl]-2-methylpropan-1-amine?
N-[[2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]cyclopentyl]methyl]-2-methylpropan-1-amine has a molecular weight of 264.42 g/mol, XLogP of 2.50, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]cyclopentyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 81027307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).