N-(cyclobutylmethyl)-1-(1-methylimidazol-2-yl)-1-thiophen-2-ylmethanamine

C14H19N3S — CID 43775172

IUPACN-(cyclobutylmethyl)-1-(1-methylimidazol-2-yl)-1-thiophen-2-ylmethanamine
SMILESCn1ccnc1C(NCC1CCC1)c1cccs1
InChIInChI=1S/C14H19N3S/c1-17-8-7-15-14(17)13(12-6-3-9-18-12)16-10-11-4-2-5-11/h3,6-9,11,13,16H,2,4-5,10H2,1H3
InChIKeyRQOWPXZAEFBEEC-UHFFFAOYSA-N
MW261.39 g/mol
LogP2.96
Rot. Bonds5

About N-(cyclobutylmethyl)-1-(1-methylimidazol-2-yl)-1-thiophen-2-ylmethanamine

N-(cyclobutylmethyl)-1-(1-methylimidazol-2-yl)-1-thiophen-2-ylmethanamine (PubChem CID 43775172) has the molecular formula C14H19N3S and a molecular weight of 261.39 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-1-(1-methylimidazol-2-yl)-1-thiophen-2-ylmethanamine.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-1-(1-methylimidazol-2-yl)-1-thiophen-2-ylmethanamine
PubChem CID43775172
Molecular FormulaC14H19N3S
Molecular Weight261.39 g/mol
Exact Mass261.13
IUPAC NameN-(cyclobutylmethyl)-1-(1-methylimidazol-2-yl)-1-thiophen-2-ylmethanamine
SMILESCn1ccnc1C(NCC1CCC1)c1cccs1
InChIInChI=1S/C14H19N3S/c1-17-8-7-15-14(17)13(12-6-3-9-18-12)16-10-11-4-2-5-11/h3,6-9,11,13,16H,2,4-5,10H2,1H3
InChIKeyRQOWPXZAEFBEEC-UHFFFAOYSA-N
XLogP2.96
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]propan-1-amine
CID 43754998
N-[(1-ethylcyclopentyl)methyl]-1-(1-methylimidazol-2-yl)-1-thiophen-2-ylmethanamine
CID 103917656
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1-(1-methylimidazol-2-yl)-1-thiophen-2-ylmethanamine
CID 107386010
3-methyl-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]cyclohexan-1-amine
CID 43775441
3-[[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]amino]propan-1-ol
CID 43770573
N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]hydroxylamine
CID 82685624
3-methyl-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]but-2-en-1-amine
CID 114154687
4-[[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]amino]butan-1-ol
CID 106840967
2-N,2-N-dimethyl-1-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]propane-1,2-diamine
CID 54913424
N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]-2-pyridin-4-ylethanamine
CID 60904183
1-(1-methylimidazol-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]-1-thiophen-2-ylmethanamine
CID 61349832
N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]-2-thiomorpholin-4-ylethanamine
CID 103917506

Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-1-(1-methylimidazol-2-yl)-1-thiophen-2-ylmethanamine?
The IUPAC name of N-(cyclobutylmethyl)-1-(1-methylimidazol-2-yl)-1-thiophen-2-ylmethanamine (CID 43775172) is N-(cyclobutylmethyl)-1-(1-methylimidazol-2-yl)-1-thiophen-2-ylmethanamine.
What is the SMILES notation for N-(cyclobutylmethyl)-1-(1-methylimidazol-2-yl)-1-thiophen-2-ylmethanamine?
The canonical SMILES for N-(cyclobutylmethyl)-1-(1-methylimidazol-2-yl)-1-thiophen-2-ylmethanamine is Cn1ccnc1C(NCC1CCC1)c1cccs1.
What is the InChIKey of N-(cyclobutylmethyl)-1-(1-methylimidazol-2-yl)-1-thiophen-2-ylmethanamine?
The InChIKey is RQOWPXZAEFBEEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3S/c1-17-8-7-15-14(17)13(12-6-3-9-18-12)16-10-11-4-2-5-11/h3,6-9,11,13,16H,2,4-5,10H2,1H3.
What are the key properties of N-(cyclobutylmethyl)-1-(1-methylimidazol-2-yl)-1-thiophen-2-ylmethanamine?
N-(cyclobutylmethyl)-1-(1-methylimidazol-2-yl)-1-thiophen-2-ylmethanamine has a molecular weight of 261.39 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-1-(1-methylimidazol-2-yl)-1-thiophen-2-ylmethanamine is sourced from PubChem (CID 43775172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).