N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-1-(thiolan-3-yl)ethane-1,2-diamine

C14H29N3S — CID 107132815

IUPACN-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-1-(thiolan-3-yl)ethane-1,2-diamine
SMILESCCN1CCCC1CN(C)C(CN)C1CCSC1
InChIInChI=1S/C14H29N3S/c1-3-17-7-4-5-13(17)10-16(2)14(9-15)12-6-8-18-11-12/h12-14H,3-11,15H2,1-2H3
InChIKeyOYBBOPYMHJTBHF-UHFFFAOYSA-N
MW271.47 g/mol
LogP1.48
Rot. Bonds6

About N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-1-(thiolan-3-yl)ethane-1,2-diamine

N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-1-(thiolan-3-yl)ethane-1,2-diamine (PubChem CID 107132815) has the molecular formula C14H29N3S and a molecular weight of 271.47 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-1-(thiolan-3-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-1-(thiolan-3-yl)ethane-1,2-diamine
PubChem CID107132815
Molecular FormulaC14H29N3S
Molecular Weight271.47 g/mol
Exact Mass271.21
IUPAC NameN-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-1-(thiolan-3-yl)ethane-1,2-diamine
SMILESCCN1CCCC1CN(C)C(CN)C1CCSC1
InChIInChI=1S/C14H29N3S/c1-3-17-7-4-5-13(17)10-16(2)14(9-15)12-6-8-18-11-12/h12-14H,3-11,15H2,1-2H3
InChIKeyOYBBOPYMHJTBHF-UHFFFAOYSA-N
XLogP1.48
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.47
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopentyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylethane-1,2-diamine
CID 79303331
N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-1-(oxan-4-yl)ethane-1,2-diamine
CID 79303847
N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-1-(oxan-3-yl)ethane-1,2-diamine
CID 79314280
3-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-N-methylbutane-1,3-diamine
CID 79302990
2-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-N-methylnonane-1,2-diamine
CID 79313625
1-cycloheptyl-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]ethane-1,2-diamine
CID 79303833
4-amino-3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-N,N-dimethylbutanamide
CID 79314706
N-methyl-N-(2-propan-2-yloxyethyl)-1-(thiolan-3-yl)ethane-1,2-diamine
CID 107132836
N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-1-(3-methylthiophen-2-yl)ethane-1,2-diamine
CID 79304465
1-(3,5-dichlorophenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylethane-1,2-diamine
CID 79308719
1-N-cyclopropyl-2-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-N-methylbutane-1,2-diamine
CID 79312570
N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1-(oxan-4-yl)ethane-1,2-diamine
CID 79304121

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-1-(thiolan-3-yl)ethane-1,2-diamine?
The IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-1-(thiolan-3-yl)ethane-1,2-diamine (CID 107132815) is N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-1-(thiolan-3-yl)ethane-1,2-diamine.
What is the SMILES notation for N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-1-(thiolan-3-yl)ethane-1,2-diamine?
The canonical SMILES for N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-1-(thiolan-3-yl)ethane-1,2-diamine is CCN1CCCC1CN(C)C(CN)C1CCSC1.
What is the InChIKey of N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-1-(thiolan-3-yl)ethane-1,2-diamine?
The InChIKey is OYBBOPYMHJTBHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3S/c1-3-17-7-4-5-13(17)10-16(2)14(9-15)12-6-8-18-11-12/h12-14H,3-11,15H2,1-2H3.
What are the key properties of N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-1-(thiolan-3-yl)ethane-1,2-diamine?
N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-1-(thiolan-3-yl)ethane-1,2-diamine has a molecular weight of 271.47 g/mol, XLogP of 1.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-1-(thiolan-3-yl)ethane-1,2-diamine is sourced from PubChem (CID 107132815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).