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

C16H26N2S — CID 81025022

IUPACN-[[2-[(2-methyl-1,3-thiazol-4-yl)methyl]cycloheptyl]methyl]cyclopropanamine
SMILESCc1nc(CC2CCCCCC2CNC2CC2)cs1
InChIInChI=1S/C16H26N2S/c1-12-18-16(11-19-12)9-13-5-3-2-4-6-14(13)10-17-15-7-8-15/h11,13-15,17H,2-10H2,1H3
InChIKeyAOYBNZSOLNSSDN-UHFFFAOYSA-N
MW278.46 g/mol
LogP3.94
Rot. Bonds5

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

N-[[2-[(2-methyl-1,3-thiazol-4-yl)methyl]cycloheptyl]methyl]cyclopropanamine (PubChem CID 81025022) has the molecular formula C16H26N2S and a molecular weight of 278.46 g/mol. Its IUPAC name is N-[[2-[(2-methyl-1,3-thiazol-4-yl)methyl]cycloheptyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-[(2-methyl-1,3-thiazol-4-yl)methyl]cycloheptyl]methyl]cyclopropanamine
PubChem CID81025022
Molecular FormulaC16H26N2S
Molecular Weight278.46 g/mol
Exact Mass278.18
IUPAC NameN-[[2-[(2-methyl-1,3-thiazol-4-yl)methyl]cycloheptyl]methyl]cyclopropanamine
SMILESCc1nc(CC2CCCCCC2CNC2CC2)cs1
InChIInChI=1S/C16H26N2S/c1-12-18-16(11-19-12)9-13-5-3-2-4-6-14(13)10-17-15-7-8-15/h11,13-15,17H,2-10H2,1H3
InChIKeyAOYBNZSOLNSSDN-UHFFFAOYSA-N
XLogP3.94
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.46
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexyl]methyl]cyclopropanamine
CID 81031760
N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexanamine
CID 28780749
4-(cyclohexylmethyl)-2-methyl-1,3-thiazole
CID 174858890
N-[5-(2-methyl-1,3-thiazol-4-yl)pent-3-enyl]cyclopropanamine
CID 79590603
N-[[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)cycloheptyl]methyl]cyclopropanamine
CID 115335410
N-ethyl-4-[(2-methyl-1,3-thiazol-4-yl)methyl]thiolan-3-amine
CID 83196309
2-cyclohexyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexan-1-amine
CID 60961514
N-[[2-(pyridin-4-ylmethyl)cycloheptyl]methyl]cyclopropanamine
CID 81026278
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,1-dioxothian-4-amine
CID 43615105
N-[[2-(thiophen-3-ylmethyl)cyclohexyl]methyl]cyclopropanamine
CID 81024776
N-[(2-methyl-1,3-thiazol-4-yl)methyl]oxan-4-amine
CID 43609962
N-[[2-[(5-bromo-2-pyridinyl)methyl]cyclohexyl]methyl]cyclopropanamine
CID 104813879

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2-methyl-1,3-thiazol-4-yl)methyl]cycloheptyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-[(2-methyl-1,3-thiazol-4-yl)methyl]cycloheptyl]methyl]cyclopropanamine (CID 81025022) is N-[[2-[(2-methyl-1,3-thiazol-4-yl)methyl]cycloheptyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-[(2-methyl-1,3-thiazol-4-yl)methyl]cycloheptyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-[(2-methyl-1,3-thiazol-4-yl)methyl]cycloheptyl]methyl]cyclopropanamine is Cc1nc(CC2CCCCCC2CNC2CC2)cs1.
What is the InChIKey of N-[[2-[(2-methyl-1,3-thiazol-4-yl)methyl]cycloheptyl]methyl]cyclopropanamine?
The InChIKey is AOYBNZSOLNSSDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2S/c1-12-18-16(11-19-12)9-13-5-3-2-4-6-14(13)10-17-15-7-8-15/h11,13-15,17H,2-10H2,1H3.
What are the key properties of N-[[2-[(2-methyl-1,3-thiazol-4-yl)methyl]cycloheptyl]methyl]cyclopropanamine?
N-[[2-[(2-methyl-1,3-thiazol-4-yl)methyl]cycloheptyl]methyl]cyclopropanamine has a molecular weight of 278.46 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(2-methyl-1,3-thiazol-4-yl)methyl]cycloheptyl]methyl]cyclopropanamine is sourced from PubChem (CID 81025022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).