1-cyclopropyl-N-(pyrrolidin-2-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)methanamine

C13H21N3S — CID 106604608

IUPAC1-cyclopropyl-N-(pyrrolidin-2-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)methanamine
SMILESc1csc(CN(CC2CC2)CC2CCCN2)n1
InChIInChI=1S/C13H21N3S/c1-2-12(14-5-1)9-16(8-11-3-4-11)10-13-15-6-7-17-13/h6-7,11-12,14H,1-5,8-10H2
InChIKeyKCCTUXZJMLGQPL-UHFFFAOYSA-N
MW251.40 g/mol
LogP2.11
Rot. Bonds6

About 1-cyclopropyl-N-(pyrrolidin-2-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)methanamine

1-cyclopropyl-N-(pyrrolidin-2-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)methanamine (PubChem CID 106604608) has the molecular formula C13H21N3S and a molecular weight of 251.40 g/mol. Its IUPAC name is 1-cyclopropyl-N-(pyrrolidin-2-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-cyclopropyl-N-(pyrrolidin-2-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)methanamine
PubChem CID106604608
Molecular FormulaC13H21N3S
Molecular Weight251.40 g/mol
Exact Mass251.15
IUPAC Name1-cyclopropyl-N-(pyrrolidin-2-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)methanamine
SMILESc1csc(CN(CC2CC2)CC2CCCN2)n1
InChIInChI=1S/C13H21N3S/c1-2-12(14-5-1)9-16(8-11-3-4-11)10-13-15-6-7-17-13/h6-7,11-12,14H,1-5,8-10H2
InChIKeyKCCTUXZJMLGQPL-UHFFFAOYSA-N
XLogP2.11
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.40
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(piperidin-2-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)propan-1-amine
CID 106623603
N-methyl-1-piperidin-2-yl-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 103694929
2-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]-N-(1,3-thiazol-2-yl)acetamide
CID 106616473
1-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-N-(pyrrolidin-2-ylmethyl)methanamine
CID 106604413
1-cyclopropyl-N-[(2-ethylpyrazol-3-yl)methyl]-N-(pyrrolidin-2-ylmethyl)methanamine
CID 106604456
N-(1-benzothiophen-3-ylmethyl)-1-cyclopropyl-N-(pyrrolidin-2-ylmethyl)methanamine
CID 106604586
1-cyclopropyl-N-[(2-ethylphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)methanamine
CID 106604438
N-(cyclopropylmethyl)-2-pyridin-2-yl-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106616436
1-cyclopropyl-N-[(3-fluoro-4-methylphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)methanamine
CID 106604588
1-cyclopropyl-N-[(2-cyclopropylphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)methanamine
CID 106604598
1-cyclopropyl-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-(pyrrolidin-2-ylmethyl)methanamine
CID 106616386
1-cyclopropyl-N-[(3-ethylimidazol-4-yl)methyl]-N-(pyrrolidin-2-ylmethyl)methanamine
CID 106604446

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-(pyrrolidin-2-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)methanamine?
The IUPAC name of 1-cyclopropyl-N-(pyrrolidin-2-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)methanamine (CID 106604608) is 1-cyclopropyl-N-(pyrrolidin-2-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)methanamine.
What is the SMILES notation for 1-cyclopropyl-N-(pyrrolidin-2-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)methanamine?
The canonical SMILES for 1-cyclopropyl-N-(pyrrolidin-2-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)methanamine is c1csc(CN(CC2CC2)CC2CCCN2)n1.
What is the InChIKey of 1-cyclopropyl-N-(pyrrolidin-2-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)methanamine?
The InChIKey is KCCTUXZJMLGQPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3S/c1-2-12(14-5-1)9-16(8-11-3-4-11)10-13-15-6-7-17-13/h6-7,11-12,14H,1-5,8-10H2.
What are the key properties of 1-cyclopropyl-N-(pyrrolidin-2-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)methanamine?
1-cyclopropyl-N-(pyrrolidin-2-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)methanamine has a molecular weight of 251.40 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-(pyrrolidin-2-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)methanamine is sourced from PubChem (CID 106604608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).