N-[[1-(aminomethyl)cycloheptyl]methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine

C15H27N3S — CID 115445024

IUPACN-[[1-(aminomethyl)cycloheptyl]methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
SMILESCc1csc(CCNCC2(CN)CCCCCC2)n1
InChIInChI=1S/C15H27N3S/c1-13-10-19-14(18-13)6-9-17-12-15(11-16)7-4-2-3-5-8-15/h10,17H,2-9,11-12,16H2,1H3
InChIKeyQTAYEOPMSMPRQT-UHFFFAOYSA-N
MW281.47 g/mol
LogP2.88
Rot. Bonds6

About N-[[1-(aminomethyl)cycloheptyl]methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine

N-[[1-(aminomethyl)cycloheptyl]methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine (PubChem CID 115445024) has the molecular formula C15H27N3S and a molecular weight of 281.47 g/mol. Its IUPAC name is N-[[1-(aminomethyl)cycloheptyl]methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine.

Molecular Properties

Compound NameN-[[1-(aminomethyl)cycloheptyl]methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
PubChem CID115445024
Molecular FormulaC15H27N3S
Molecular Weight281.47 g/mol
Exact Mass281.19
IUPAC NameN-[[1-(aminomethyl)cycloheptyl]methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
SMILESCc1csc(CCNCC2(CN)CCCCCC2)n1
InChIInChI=1S/C15H27N3S/c1-13-10-19-14(18-13)6-9-17-12-15(11-16)7-4-2-3-5-8-15/h10,17H,2-9,11-12,16H2,1H3
InChIKeyQTAYEOPMSMPRQT-UHFFFAOYSA-N
XLogP2.88
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.47
LogP ≤ 52.88
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)cyclopropyl]methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 115453861
N-[[1-(aminomethyl)cyclopentyl]methyl]-1-(4-methyl-1,3-thiazol-2-yl)methanamine
CID 115435528
2-[1-(aminomethyl)cyclobutyl]-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]acetamide
CID 81168695
1-[2-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]ethyl]cyclopentan-1-amine
CID 64682059
N-[[1-(aminomethyl)cyclobutyl]methyl]-2-(3-methylthiophen-2-yl)ethanamine
CID 115245948
1-[1-(aminomethyl)cyclohexyl]-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one
CID 116614454
N-[[1-(aminomethyl)cyclopentyl]methyl]-1-(2-methyl-1,3-thiazol-4-yl)methanamine
CID 115435527
2-(4-methyl-1,3-thiazol-2-yl)ethylhydrazine
CID 105220758
N-[(1-ethylcyclopropyl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)methanamine;hydrochloride
CID 115680327
N-[[1-(aminomethyl)-4-methylcyclohexyl]methyl]-2-(1,3-thiazol-2-yl)ethanamine
CID 115442731
2,2-dimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 63000811
3,3-dimethyl-1-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]butane-1,2-diamine
CID 112555997

Frequently Asked Questions

What is the IUPAC name of N-[[1-(aminomethyl)cycloheptyl]methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine?
The IUPAC name of N-[[1-(aminomethyl)cycloheptyl]methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine (CID 115445024) is N-[[1-(aminomethyl)cycloheptyl]methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine.
What is the SMILES notation for N-[[1-(aminomethyl)cycloheptyl]methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine?
The canonical SMILES for N-[[1-(aminomethyl)cycloheptyl]methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine is Cc1csc(CCNCC2(CN)CCCCCC2)n1.
What is the InChIKey of N-[[1-(aminomethyl)cycloheptyl]methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine?
The InChIKey is QTAYEOPMSMPRQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3S/c1-13-10-19-14(18-13)6-9-17-12-15(11-16)7-4-2-3-5-8-15/h10,17H,2-9,11-12,16H2,1H3.
What are the key properties of N-[[1-(aminomethyl)cycloheptyl]methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine?
N-[[1-(aminomethyl)cycloheptyl]methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine has a molecular weight of 281.47 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(aminomethyl)cycloheptyl]methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine is sourced from PubChem (CID 115445024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).