1-[2-[(2-methyl-1,3-thiazol-4-yl)methylamino]ethyl]cyclohexan-1-amine

C13H23N3S — CID 64677705

IUPAC1-[2-[(2-methyl-1,3-thiazol-4-yl)methylamino]ethyl]cyclohexan-1-amine
SMILESCc1nc(CNCCC2(N)CCCCC2)cs1
InChIInChI=1S/C13H23N3S/c1-11-16-12(10-17-11)9-15-8-7-13(14)5-3-2-4-6-13/h10,15H,2-9,14H2,1H3
InChIKeyQEAMKBOXAJTXJQ-UHFFFAOYSA-N
MW253.41 g/mol
LogP2.59
Rot. Bonds5

About 1-[2-[(2-methyl-1,3-thiazol-4-yl)methylamino]ethyl]cyclohexan-1-amine

1-[2-[(2-methyl-1,3-thiazol-4-yl)methylamino]ethyl]cyclohexan-1-amine (PubChem CID 64677705) has the molecular formula C13H23N3S and a molecular weight of 253.41 g/mol. Its IUPAC name is 1-[2-[(2-methyl-1,3-thiazol-4-yl)methylamino]ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name1-[2-[(2-methyl-1,3-thiazol-4-yl)methylamino]ethyl]cyclohexan-1-amine
PubChem CID64677705
Molecular FormulaC13H23N3S
Molecular Weight253.41 g/mol
Exact Mass253.16
IUPAC Name1-[2-[(2-methyl-1,3-thiazol-4-yl)methylamino]ethyl]cyclohexan-1-amine
SMILESCc1nc(CNCCC2(N)CCCCC2)cs1
InChIInChI=1S/C13H23N3S/c1-11-16-12(10-17-11)9-15-8-7-13(14)5-3-2-4-6-13/h10,15H,2-9,14H2,1H3
InChIKeyQEAMKBOXAJTXJQ-UHFFFAOYSA-N
XLogP2.59
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[1-(aminomethyl)cyclopentyl]methyl]-1-(2-methyl-1,3-thiazol-4-yl)methanamine
CID 115435527
1-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]cyclobutan-1-ol
CID 115621582
3-methyl-1-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butane-1,3-diamine
CID 64677704
1-[[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]methyl]cyclopropan-1-amine
CID 106052386
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-pyrrolidin-1-ylethanamine
CID 28781366
1-[2-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]ethyl]cyclopentan-1-amine
CID 64682059
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 79261715
4-[2-[(2-methyl-1,3-thiazol-4-yl)methylamino]ethyl]-1,3-thiazol-2-amine
CID 65485633
2-ethyl-1-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butane-1,2-diamine
CID 79814325
3-cyclohexyloxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propan-1-amine
CID 28781680
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-propan-2-yloxyethanamine
CID 61485001
2-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methylamino]butan-2-ol
CID 79361912

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-methyl-1,3-thiazol-4-yl)methylamino]ethyl]cyclohexan-1-amine?
The IUPAC name of 1-[2-[(2-methyl-1,3-thiazol-4-yl)methylamino]ethyl]cyclohexan-1-amine (CID 64677705) is 1-[2-[(2-methyl-1,3-thiazol-4-yl)methylamino]ethyl]cyclohexan-1-amine.
What is the SMILES notation for 1-[2-[(2-methyl-1,3-thiazol-4-yl)methylamino]ethyl]cyclohexan-1-amine?
The canonical SMILES for 1-[2-[(2-methyl-1,3-thiazol-4-yl)methylamino]ethyl]cyclohexan-1-amine is Cc1nc(CNCCC2(N)CCCCC2)cs1.
What is the InChIKey of 1-[2-[(2-methyl-1,3-thiazol-4-yl)methylamino]ethyl]cyclohexan-1-amine?
The InChIKey is QEAMKBOXAJTXJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3S/c1-11-16-12(10-17-11)9-15-8-7-13(14)5-3-2-4-6-13/h10,15H,2-9,14H2,1H3.
What are the key properties of 1-[2-[(2-methyl-1,3-thiazol-4-yl)methylamino]ethyl]cyclohexan-1-amine?
1-[2-[(2-methyl-1,3-thiazol-4-yl)methylamino]ethyl]cyclohexan-1-amine has a molecular weight of 253.41 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-methyl-1,3-thiazol-4-yl)methylamino]ethyl]cyclohexan-1-amine is sourced from PubChem (CID 64677705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).