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

C14H26N4 — CID 81016803

IUPACN-[[2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclobutyl]methyl]propan-1-amine
SMILESCCCNCC1CCC1Cc1ncnn1C(C)C
InChIInChI=1S/C14H26N4/c1-4-7-15-9-13-6-5-12(13)8-14-16-10-17-18(14)11(2)3/h10-13,15H,4-9H2,1-3H3
InChIKeyRTVCKFCIEBPGAS-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.43
Rot. Bonds7

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

N-[[2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclobutyl]methyl]propan-1-amine (PubChem CID 81016803) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is N-[[2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclobutyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclobutyl]methyl]propan-1-amine
PubChem CID81016803
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC NameN-[[2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclobutyl]methyl]propan-1-amine
SMILESCCCNCC1CCC1Cc1ncnn1C(C)C
InChIInChI=1S/C14H26N4/c1-4-7-15-9-13-6-5-12(13)8-14-16-10-17-18(14)11(2)3/h10-13,15H,4-9H2,1-3H3
InChIKeyRTVCKFCIEBPGAS-UHFFFAOYSA-N
XLogP2.43
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclobutyl]methyl]propan-1-amine?
The IUPAC name of N-[[2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclobutyl]methyl]propan-1-amine (CID 81016803) is N-[[2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclobutyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclobutyl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclobutyl]methyl]propan-1-amine is CCCNCC1CCC1Cc1ncnn1C(C)C.
What is the InChIKey of N-[[2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclobutyl]methyl]propan-1-amine?
The InChIKey is RTVCKFCIEBPGAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-4-7-15-9-13-6-5-12(13)8-14-16-10-17-18(14)11(2)3/h10-13,15H,4-9H2,1-3H3.
What are the key properties of N-[[2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclobutyl]methyl]propan-1-amine?
N-[[2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclobutyl]methyl]propan-1-amine has a molecular weight of 250.39 g/mol, XLogP of 2.43, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclobutyl]methyl]propan-1-amine is sourced from PubChem (CID 81016803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).