2-cyclopropyl-2-N-methyl-2-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butane-1,2-diamine

C13H23N3S — CID 64919535

IUPAC2-cyclopropyl-2-N-methyl-2-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butane-1,2-diamine
SMILESCCC(CN)(C1CC1)N(C)Cc1scnc1C
InChIInChI=1S/C13H23N3S/c1-4-13(8-14,11-5-6-11)16(3)7-12-10(2)15-9-17-12/h9,11H,4-8,14H2,1-3H3
InChIKeyXHZZUIXMIBKHGN-UHFFFAOYSA-N
MW253.41 g/mol
LogP2.40
Rot. Bonds6

About 2-cyclopropyl-2-N-methyl-2-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butane-1,2-diamine

2-cyclopropyl-2-N-methyl-2-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butane-1,2-diamine (PubChem CID 64919535) has the molecular formula C13H23N3S and a molecular weight of 253.41 g/mol. Its IUPAC name is 2-cyclopropyl-2-N-methyl-2-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butane-1,2-diamine.

Molecular Properties

Compound Name2-cyclopropyl-2-N-methyl-2-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butane-1,2-diamine
PubChem CID64919535
Molecular FormulaC13H23N3S
Molecular Weight253.41 g/mol
Exact Mass253.16
IUPAC Name2-cyclopropyl-2-N-methyl-2-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butane-1,2-diamine
SMILESCCC(CN)(C1CC1)N(C)Cc1scnc1C
InChIInChI=1S/C13H23N3S/c1-4-13(8-14,11-5-6-11)16(3)7-12-10(2)15-9-17-12/h9,11H,4-8,14H2,1-3H3
InChIKeyXHZZUIXMIBKHGN-UHFFFAOYSA-N
XLogP2.40
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-N,2-dimethyl-2-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pentane-1,2-diamine
CID 63844168
3-ethoxy-2-N,2-dimethyl-2-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propane-1,2-diamine
CID 113493218
N'-methyl-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]but-2-ene-1,4-diamine
CID 77110220
N-methyl-2-(4-methyl-1,3-thiazol-5-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 134709892
2,2-dimethyl-6-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]cyclohexan-1-amine
CID 79848805
2-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]-4-propylcyclohexan-1-amine
CID 63836320
N-methyl-1-(3-methylpiperidin-2-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine
CID 107069286
N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-piperidin-4-ylpropan-1-amine
CID 55261344
3-amino-N,2,2-trimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propanamide;dihydrochloride
CID 119876577
N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-(oxan-4-yl)ethane-1,2-diamine
CID 55261914
N'-methyl-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-(oxan-4-yl)ethane-1,2-diamine
CID 63838967
[5-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]-1,2-oxazol-3-yl]methanamine
CID 55256757

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-N-methyl-2-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butane-1,2-diamine?
The IUPAC name of 2-cyclopropyl-2-N-methyl-2-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butane-1,2-diamine (CID 64919535) is 2-cyclopropyl-2-N-methyl-2-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butane-1,2-diamine.
What is the SMILES notation for 2-cyclopropyl-2-N-methyl-2-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butane-1,2-diamine?
The canonical SMILES for 2-cyclopropyl-2-N-methyl-2-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butane-1,2-diamine is CCC(CN)(C1CC1)N(C)Cc1scnc1C.
What is the InChIKey of 2-cyclopropyl-2-N-methyl-2-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butane-1,2-diamine?
The InChIKey is XHZZUIXMIBKHGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3S/c1-4-13(8-14,11-5-6-11)16(3)7-12-10(2)15-9-17-12/h9,11H,4-8,14H2,1-3H3.
What are the key properties of 2-cyclopropyl-2-N-methyl-2-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butane-1,2-diamine?
2-cyclopropyl-2-N-methyl-2-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butane-1,2-diamine has a molecular weight of 253.41 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-N-methyl-2-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butane-1,2-diamine is sourced from PubChem (CID 64919535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).