N-[[1-[(cyclopropylamino)methyl]cyclohexyl]methyl]-N-methylthiolan-3-amine

C16H30N2S — CID 55051725

IUPACN-[[1-[(cyclopropylamino)methyl]cyclohexyl]methyl]-N-methylthiolan-3-amine
SMILESCN(CC1(CNC2CC2)CCCCC1)C1CCSC1
InChIInChI=1S/C16H30N2S/c1-18(15-7-10-19-11-15)13-16(8-3-2-4-9-16)12-17-14-5-6-14/h14-15,17H,2-13H2,1H3
InChIKeyDWZPXLMFLWKVOT-UHFFFAOYSA-N
MW282.50 g/mol
LogP3.13
Rot. Bonds6

About N-[[1-[(cyclopropylamino)methyl]cyclohexyl]methyl]-N-methylthiolan-3-amine

N-[[1-[(cyclopropylamino)methyl]cyclohexyl]methyl]-N-methylthiolan-3-amine (PubChem CID 55051725) has the molecular formula C16H30N2S and a molecular weight of 282.50 g/mol. Its IUPAC name is N-[[1-[(cyclopropylamino)methyl]cyclohexyl]methyl]-N-methylthiolan-3-amine.

Molecular Properties

Compound NameN-[[1-[(cyclopropylamino)methyl]cyclohexyl]methyl]-N-methylthiolan-3-amine
PubChem CID55051725
Molecular FormulaC16H30N2S
Molecular Weight282.50 g/mol
Exact Mass282.21
IUPAC NameN-[[1-[(cyclopropylamino)methyl]cyclohexyl]methyl]-N-methylthiolan-3-amine
SMILESCN(CC1(CNC2CC2)CCCCC1)C1CCSC1
InChIInChI=1S/C16H30N2S/c1-18(15-7-10-19-11-15)13-16(8-3-2-4-9-16)12-17-14-5-6-14/h14-15,17H,2-13H2,1H3
InChIKeyDWZPXLMFLWKVOT-UHFFFAOYSA-N
XLogP3.13
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.50
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-[(cyclopropylamino)methyl]cyclopentyl]methyl]-N-methyloxolan-3-amine
CID 82744183
N-[[4-[(cyclopropylamino)methyl]oxan-4-yl]methyl]-N-methylcyclohexanamine
CID 62392849
N-[[1-[[cyclopropyl(2-methylpropyl)amino]methyl]cyclohexyl]methyl]cyclopropanamine
CID 62260942
N-[[3-[[cyclopropyl(methyl)amino]methyl]oxan-3-yl]methyl]cyclopropanamine
CID 63741534
N-[[1-[[bis(2-methylpropyl)amino]methyl]cyclohexyl]methyl]cyclopropanamine
CID 63493102
N-[[1-[[cyclopentylmethyl(methyl)amino]methyl]cyclopentyl]methyl]cyclopropanamine
CID 63633194
N-[[1-[[methyl(pentan-2-yl)amino]methyl]cyclohexyl]methyl]cyclopropanamine
CID 62256313
N-[[1-(bromomethyl)cycloheptyl]methyl]-N-methylcyclohexanamine
CID 65010270
(3S)-N-[[1-(methoxymethyl)cyclopentyl]methyl]thiolan-3-amine
CID 126454601
2-[1-[(thiolan-3-ylamino)methyl]cyclohexyl]ethanol
CID 115727241
N-[[4-[(cyclopropylamino)methyl]oxan-4-yl]methyl]-N,3-dimethylcyclohexan-1-amine
CID 62392028
N-[[1-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]cyclohexyl]methyl]cyclopropanamine
CID 112664935

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(cyclopropylamino)methyl]cyclohexyl]methyl]-N-methylthiolan-3-amine?
The IUPAC name of N-[[1-[(cyclopropylamino)methyl]cyclohexyl]methyl]-N-methylthiolan-3-amine (CID 55051725) is N-[[1-[(cyclopropylamino)methyl]cyclohexyl]methyl]-N-methylthiolan-3-amine.
What is the SMILES notation for N-[[1-[(cyclopropylamino)methyl]cyclohexyl]methyl]-N-methylthiolan-3-amine?
The canonical SMILES for N-[[1-[(cyclopropylamino)methyl]cyclohexyl]methyl]-N-methylthiolan-3-amine is CN(CC1(CNC2CC2)CCCCC1)C1CCSC1.
What is the InChIKey of N-[[1-[(cyclopropylamino)methyl]cyclohexyl]methyl]-N-methylthiolan-3-amine?
The InChIKey is DWZPXLMFLWKVOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2S/c1-18(15-7-10-19-11-15)13-16(8-3-2-4-9-16)12-17-14-5-6-14/h14-15,17H,2-13H2,1H3.
What are the key properties of N-[[1-[(cyclopropylamino)methyl]cyclohexyl]methyl]-N-methylthiolan-3-amine?
N-[[1-[(cyclopropylamino)methyl]cyclohexyl]methyl]-N-methylthiolan-3-amine has a molecular weight of 282.50 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(cyclopropylamino)methyl]cyclohexyl]methyl]-N-methylthiolan-3-amine is sourced from PubChem (CID 55051725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).