N-tert-butyl-2-cyclopentyl-4-(1-methylimidazol-2-yl)butan-1-amine

C17H31N3 — CID 114531599

IUPACN-tert-butyl-2-cyclopentyl-4-(1-methylimidazol-2-yl)butan-1-amine
SMILESCn1ccnc1CCC(CNC(C)(C)C)C1CCCC1
InChIInChI=1S/C17H31N3/c1-17(2,3)19-13-15(14-7-5-6-8-14)9-10-16-18-11-12-20(16)4/h11-12,14-15,19H,5-10,13H2,1-4H3
InChIKeySBJHYPGUFLCHMG-UHFFFAOYSA-N
MW277.46 g/mol
LogP3.55
Rot. Bonds6

About N-tert-butyl-2-cyclopentyl-4-(1-methylimidazol-2-yl)butan-1-amine

N-tert-butyl-2-cyclopentyl-4-(1-methylimidazol-2-yl)butan-1-amine (PubChem CID 114531599) has the molecular formula C17H31N3 and a molecular weight of 277.46 g/mol. Its IUPAC name is N-tert-butyl-2-cyclopentyl-4-(1-methylimidazol-2-yl)butan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-cyclopentyl-4-(1-methylimidazol-2-yl)butan-1-amine
PubChem CID114531599
Molecular FormulaC17H31N3
Molecular Weight277.46 g/mol
Exact Mass277.25
IUPAC NameN-tert-butyl-2-cyclopentyl-4-(1-methylimidazol-2-yl)butan-1-amine
SMILESCn1ccnc1CCC(CNC(C)(C)C)C1CCCC1
InChIInChI=1S/C17H31N3/c1-17(2,3)19-13-15(14-7-5-6-8-14)9-10-16-18-11-12-20(16)4/h11-12,14-15,19H,5-10,13H2,1-4H3
InChIKeySBJHYPGUFLCHMG-UHFFFAOYSA-N
XLogP3.55
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.46
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopentyl-3-(1-methylimidazol-2-yl)propan-1-amine
CID 114530015
1-cyclobutyl-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine
CID 114530243
[1-cycloheptyl-4-(1-methylimidazol-2-yl)butan-2-yl]hydrazine
CID 105340281
1-cyclopentyl-5-(1-methylimidazol-2-yl)pentan-3-ol
CID 115838050
N-[2-(1-methylimidazol-2-yl)ethyl]cyclooctanamine
CID 61214993
2-methyl-N-[3-(1-methylimidazol-2-yl)propyl]propan-2-amine
CID 64503751
3,3-dimethyl-2-[2-(1-methylimidazol-2-yl)ethyl]-N-propan-2-ylbutan-1-amine
CID 114531574
1-(7-bicyclo[4.1.0]heptanyl)-3-(1-methylimidazol-2-yl)propan-1-amine
CID 105050153
[1-cyclohexyl-1-ethoxy-4-(1-methylimidazol-2-yl)butan-2-yl]hydrazine
CID 105278913
(1S)-1-cyclopentyl-N-[(1-methylimidazol-2-yl)methyl]ethanamine
CID 81386227
N-[3-methyl-5-(1-methylimidazol-2-yl)pentyl]cyclopropanamine
CID 114532982
N'-tert-butyl-N-[2-(1-methylimidazol-2-yl)ethyl]ethane-1,2-diamine
CID 107445440

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-cyclopentyl-4-(1-methylimidazol-2-yl)butan-1-amine?
The IUPAC name of N-tert-butyl-2-cyclopentyl-4-(1-methylimidazol-2-yl)butan-1-amine (CID 114531599) is N-tert-butyl-2-cyclopentyl-4-(1-methylimidazol-2-yl)butan-1-amine.
What is the SMILES notation for N-tert-butyl-2-cyclopentyl-4-(1-methylimidazol-2-yl)butan-1-amine?
The canonical SMILES for N-tert-butyl-2-cyclopentyl-4-(1-methylimidazol-2-yl)butan-1-amine is Cn1ccnc1CCC(CNC(C)(C)C)C1CCCC1.
What is the InChIKey of N-tert-butyl-2-cyclopentyl-4-(1-methylimidazol-2-yl)butan-1-amine?
The InChIKey is SBJHYPGUFLCHMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3/c1-17(2,3)19-13-15(14-7-5-6-8-14)9-10-16-18-11-12-20(16)4/h11-12,14-15,19H,5-10,13H2,1-4H3.
What are the key properties of N-tert-butyl-2-cyclopentyl-4-(1-methylimidazol-2-yl)butan-1-amine?
N-tert-butyl-2-cyclopentyl-4-(1-methylimidazol-2-yl)butan-1-amine has a molecular weight of 277.46 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-cyclopentyl-4-(1-methylimidazol-2-yl)butan-1-amine is sourced from PubChem (CID 114531599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).