N-(piperidin-3-ylmethyl)-N-[1-(1,3-thiazol-2-yl)ethyl]cyclopropanamine

C14H23N3S — CID 106624840

IUPACN-(piperidin-3-ylmethyl)-N-[1-(1,3-thiazol-2-yl)ethyl]cyclopropanamine
SMILESCC(c1nccs1)N(CC1CCCNC1)C1CC1
InChIInChI=1S/C14H23N3S/c1-11(14-16-7-8-18-14)17(13-4-5-13)10-12-3-2-6-15-9-12/h7-8,11-13,15H,2-6,9-10H2,1H3
InChIKeyVWDNUDSFYMDOQN-UHFFFAOYSA-N
MW265.43 g/mol
LogP2.67
Rot. Bonds5

About N-(piperidin-3-ylmethyl)-N-[1-(1,3-thiazol-2-yl)ethyl]cyclopropanamine

N-(piperidin-3-ylmethyl)-N-[1-(1,3-thiazol-2-yl)ethyl]cyclopropanamine (PubChem CID 106624840) has the molecular formula C14H23N3S and a molecular weight of 265.43 g/mol. Its IUPAC name is N-(piperidin-3-ylmethyl)-N-[1-(1,3-thiazol-2-yl)ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-(piperidin-3-ylmethyl)-N-[1-(1,3-thiazol-2-yl)ethyl]cyclopropanamine
PubChem CID106624840
Molecular FormulaC14H23N3S
Molecular Weight265.43 g/mol
Exact Mass265.16
IUPAC NameN-(piperidin-3-ylmethyl)-N-[1-(1,3-thiazol-2-yl)ethyl]cyclopropanamine
SMILESCC(c1nccs1)N(CC1CCCNC1)C1CC1
InChIInChI=1S/C14H23N3S/c1-11(14-16-7-8-18-14)17(13-4-5-13)10-12-3-2-6-15-9-12/h7-8,11-13,15H,2-6,9-10H2,1H3
InChIKeyVWDNUDSFYMDOQN-UHFFFAOYSA-N
XLogP2.67
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.43
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]piperidin-3-amine
CID 64990579
N-[1-(3,4-dimethylphenyl)ethyl]-N-(piperidin-3-ylmethyl)cyclopropanamine
CID 106624967
N-[1-(5-fluoro-2-pyridinyl)ethyl]-N-(piperidin-3-ylmethyl)cyclopropanamine
CID 106624899
N-[1-(4-methylsulfanylphenyl)ethyl]-N-(piperidin-3-ylmethyl)cyclopropanamine
CID 106624965
N-(piperidin-3-ylmethyl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]cyclopropanamine
CID 106625018
N-propan-2-yl-N-(pyrrolidin-3-ylmethyl)-1,3-thiazol-2-amine
CID 83839704
4,4-dimethyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylcyclohexan-1-amine
CID 106624301
N-(piperidin-3-ylmethyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propan-2-amine
CID 106637462
N-methyl-N-(piperidin-3-ylmethyl)-1-pyridin-2-ylethanamine
CID 71637592
3-ethyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylcyclopentan-1-amine
CID 106624200
2-[methyl-[1-(1,3-thiazol-2-yl)ethyl]amino]acetaldehyde
CID 87610344
N-methyl-N-[(3S)-piperidin-3-yl]-1,3-thiazol-2-amine
CID 71641107

Frequently Asked Questions

What is the IUPAC name of N-(piperidin-3-ylmethyl)-N-[1-(1,3-thiazol-2-yl)ethyl]cyclopropanamine?
The IUPAC name of N-(piperidin-3-ylmethyl)-N-[1-(1,3-thiazol-2-yl)ethyl]cyclopropanamine (CID 106624840) is N-(piperidin-3-ylmethyl)-N-[1-(1,3-thiazol-2-yl)ethyl]cyclopropanamine.
What is the SMILES notation for N-(piperidin-3-ylmethyl)-N-[1-(1,3-thiazol-2-yl)ethyl]cyclopropanamine?
The canonical SMILES for N-(piperidin-3-ylmethyl)-N-[1-(1,3-thiazol-2-yl)ethyl]cyclopropanamine is CC(c1nccs1)N(CC1CCCNC1)C1CC1.
What is the InChIKey of N-(piperidin-3-ylmethyl)-N-[1-(1,3-thiazol-2-yl)ethyl]cyclopropanamine?
The InChIKey is VWDNUDSFYMDOQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3S/c1-11(14-16-7-8-18-14)17(13-4-5-13)10-12-3-2-6-15-9-12/h7-8,11-13,15H,2-6,9-10H2,1H3.
What are the key properties of N-(piperidin-3-ylmethyl)-N-[1-(1,3-thiazol-2-yl)ethyl]cyclopropanamine?
N-(piperidin-3-ylmethyl)-N-[1-(1,3-thiazol-2-yl)ethyl]cyclopropanamine has a molecular weight of 265.43 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(piperidin-3-ylmethyl)-N-[1-(1,3-thiazol-2-yl)ethyl]cyclopropanamine is sourced from PubChem (CID 106624840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).