N-cyclopropyl-N'-methyl-2-methylidene-N'-(1-thiophen-2-ylethyl)propane-1,3-diamine

C14H22N2S — CID 103069890

IUPACN-cyclopropyl-N'-methyl-2-methylidene-N'-(1-thiophen-2-ylethyl)propane-1,3-diamine
SMILESC=C(CNC1CC1)CN(C)C(C)c1cccs1
InChIInChI=1S/C14H22N2S/c1-11(9-15-13-6-7-13)10-16(3)12(2)14-5-4-8-17-14/h4-5,8,12-13,15H,1,6-7,9-10H2,2-3H3
InChIKeyVDMGRBKAHXGREM-UHFFFAOYSA-N
MW250.41 g/mol
LogP3.05
Rot. Bonds7

About N-cyclopropyl-N'-methyl-2-methylidene-N'-(1-thiophen-2-ylethyl)propane-1,3-diamine

N-cyclopropyl-N'-methyl-2-methylidene-N'-(1-thiophen-2-ylethyl)propane-1,3-diamine (PubChem CID 103069890) has the molecular formula C14H22N2S and a molecular weight of 250.41 g/mol. Its IUPAC name is N-cyclopropyl-N'-methyl-2-methylidene-N'-(1-thiophen-2-ylethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN-cyclopropyl-N'-methyl-2-methylidene-N'-(1-thiophen-2-ylethyl)propane-1,3-diamine
PubChem CID103069890
Molecular FormulaC14H22N2S
Molecular Weight250.41 g/mol
Exact Mass250.15
IUPAC NameN-cyclopropyl-N'-methyl-2-methylidene-N'-(1-thiophen-2-ylethyl)propane-1,3-diamine
SMILESC=C(CNC1CC1)CN(C)C(C)c1cccs1
InChIInChI=1S/C14H22N2S/c1-11(9-15-13-6-7-13)10-16(3)12(2)14-5-4-8-17-14/h4-5,8,12-13,15H,1,6-7,9-10H2,2-3H3
InChIKeyVDMGRBKAHXGREM-UHFFFAOYSA-N
XLogP3.05
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-N',2,2-trimethyl-N'-(1-thiophen-2-ylethyl)propane-1,3-diamine
CID 62257620
N-cyclohexyl-N'-methyl-N'-(1-thiophen-2-ylethyl)propane-1,3-diamine
CID 62562744
methyl 2-[methyl(1-thiophen-2-ylethyl)amino]acetate
CID 60699787
N-[2-(thiophen-2-ylsulfanylmethyl)prop-2-enyl]cyclopropanamine
CID 103068085
1-[methyl(1-thiophen-2-ylethyl)amino]butan-2-one
CID 62040161
N-[[5-methyl-4-[[methyl(1-thiophen-2-ylethyl)amino]methyl]furan-2-yl]methyl]cyclopropanamine
CID 62430120
N-[[3-methyl-5-[[methyl(1-thiophen-2-ylethyl)amino]methyl]furan-2-yl]methyl]cyclopropanamine
CID 62431361
5-chloro-4-[(cyclopropylamino)methyl]-N-methyl-N-(1-thiophen-2-ylethyl)pyridin-2-amine
CID 114925792
4-(1-thiophen-2-ylethylamino)cyclohexan-1-ol
CID 43193909
5-chloro-6-[(cyclopropylamino)methyl]-N-methyl-N-(1-thiophen-2-ylethyl)pyridin-2-amine
CID 62281993
N'-methyl-N-(oxolan-3-ylmethyl)-N'-(1-thiophen-2-ylethyl)ethane-1,2-diamine
CID 55089246
N-(1,1-dioxothiolan-3-yl)-N'-methyl-N'-(1-thiophen-2-ylethyl)ethane-1,2-diamine
CID 62555793

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N'-methyl-2-methylidene-N'-(1-thiophen-2-ylethyl)propane-1,3-diamine?
The IUPAC name of N-cyclopropyl-N'-methyl-2-methylidene-N'-(1-thiophen-2-ylethyl)propane-1,3-diamine (CID 103069890) is N-cyclopropyl-N'-methyl-2-methylidene-N'-(1-thiophen-2-ylethyl)propane-1,3-diamine.
What is the SMILES notation for N-cyclopropyl-N'-methyl-2-methylidene-N'-(1-thiophen-2-ylethyl)propane-1,3-diamine?
The canonical SMILES for N-cyclopropyl-N'-methyl-2-methylidene-N'-(1-thiophen-2-ylethyl)propane-1,3-diamine is C=C(CNC1CC1)CN(C)C(C)c1cccs1.
What is the InChIKey of N-cyclopropyl-N'-methyl-2-methylidene-N'-(1-thiophen-2-ylethyl)propane-1,3-diamine?
The InChIKey is VDMGRBKAHXGREM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2S/c1-11(9-15-13-6-7-13)10-16(3)12(2)14-5-4-8-17-14/h4-5,8,12-13,15H,1,6-7,9-10H2,2-3H3.
What are the key properties of N-cyclopropyl-N'-methyl-2-methylidene-N'-(1-thiophen-2-ylethyl)propane-1,3-diamine?
N-cyclopropyl-N'-methyl-2-methylidene-N'-(1-thiophen-2-ylethyl)propane-1,3-diamine has a molecular weight of 250.41 g/mol, XLogP of 3.05, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N'-methyl-2-methylidene-N'-(1-thiophen-2-ylethyl)propane-1,3-diamine is sourced from PubChem (CID 103069890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).