3-(2,4,5-tributylimidazol-1-yl)propan-1-amine

C18H35N3 — CID 22290042

IUPAC3-(2,4,5-tributylimidazol-1-yl)propan-1-amine
SMILESCCCCc1nc(CCCC)n(CCCN)c1CCCC
InChIInChI=1S/C18H35N3/c1-4-7-11-16-17(12-8-5-2)21(15-10-14-19)18(20-16)13-9-6-3/h4-15,19H2,1-3H3
InChIKeyQYYVYZXJCMKQKU-UHFFFAOYSA-N
MW293.50 g/mol
LogP4.26
Rot. Bonds12

About 3-(2,4,5-tributylimidazol-1-yl)propan-1-amine

3-(2,4,5-tributylimidazol-1-yl)propan-1-amine (PubChem CID 22290042) has the molecular formula C18H35N3 and a molecular weight of 293.50 g/mol. Its IUPAC name is 3-(2,4,5-tributylimidazol-1-yl)propan-1-amine.

Molecular Properties

Compound Name3-(2,4,5-tributylimidazol-1-yl)propan-1-amine
PubChem CID22290042
Molecular FormulaC18H35N3
Molecular Weight293.50 g/mol
Exact Mass293.28
IUPAC Name3-(2,4,5-tributylimidazol-1-yl)propan-1-amine
SMILESCCCCc1nc(CCCC)n(CCCN)c1CCCC
InChIInChI=1S/C18H35N3/c1-4-7-11-16-17(12-8-5-2)21(15-10-14-19)18(20-16)13-9-6-3/h4-15,19H2,1-3H3
InChIKeyQYYVYZXJCMKQKU-UHFFFAOYSA-N
XLogP4.26
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.50
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4,5,6,7-tetrahydro-1H-1,3-benzodiazol-1-yl)propan-1-amine
CID 20515389
2-methyl-1-(pyrrolidin-3-yl)-4,5,6,7-tetrahydro-1H-1,3-benzodiazole dihydrochloride
CID 86811707
9,10-Dipropyl-9,11-diazabicyclo[6.2.1]undeca-1(10),8(11)-diene
CID 10977394
4-Butyl-1,5-dipropylimidazole
CID 11769714
2-methyl-4,5-dipropyl-1H-imidazole
CID 20156512
2,4,5-tripropyl-1H-imidazole
CID 24974633
2,4,5-tributyl-1H-imidazole
CID 90214593
CID 89035429
CID 89035429
8,9-Dipropyl-8,10-diazabicyclo[5.2.1]deca-1(9),7(10)-diene
CID 15684224
1,3-Dimethyl-4,5-dipentadecylimidazolium iodide
CID 132279252
3-Ethyl-2-propyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine
CID 136301368
5-butyl-1-methyl-4-pentyl-N,N-bis(prop-2-enyl)imidazol-2-amine
CID 139230537

Frequently Asked Questions

What is the IUPAC name of 3-(2,4,5-tributylimidazol-1-yl)propan-1-amine?
The IUPAC name of 3-(2,4,5-tributylimidazol-1-yl)propan-1-amine (CID 22290042) is 3-(2,4,5-tributylimidazol-1-yl)propan-1-amine.
What is the SMILES notation for 3-(2,4,5-tributylimidazol-1-yl)propan-1-amine?
The canonical SMILES for 3-(2,4,5-tributylimidazol-1-yl)propan-1-amine is CCCCc1nc(CCCC)n(CCCN)c1CCCC.
What is the InChIKey of 3-(2,4,5-tributylimidazol-1-yl)propan-1-amine?
The InChIKey is QYYVYZXJCMKQKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3/c1-4-7-11-16-17(12-8-5-2)21(15-10-14-19)18(20-16)13-9-6-3/h4-15,19H2,1-3H3.
What are the key properties of 3-(2,4,5-tributylimidazol-1-yl)propan-1-amine?
3-(2,4,5-tributylimidazol-1-yl)propan-1-amine has a molecular weight of 293.50 g/mol, XLogP of 4.26, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4,5-tributylimidazol-1-yl)propan-1-amine is sourced from PubChem (CID 22290042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).