N-cyclopropyl-4-(propylaminomethyl)-N-(thiophen-2-ylmethyl)pyridin-2-amine

C17H23N3S — CID 62289080

IUPACN-cyclopropyl-4-(propylaminomethyl)-N-(thiophen-2-ylmethyl)pyridin-2-amine
SMILESCCCNCc1ccnc(N(Cc2cccs2)C2CC2)c1
InChIInChI=1S/C17H23N3S/c1-2-8-18-12-14-7-9-19-17(11-14)20(15-5-6-15)13-16-4-3-10-21-16/h3-4,7,9-11,15,18H,2,5-6,8,12-13H2,1H3
InChIKeyOPMWXTGKCDGQPD-UHFFFAOYSA-N
MW301.46 g/mol
LogP3.81
Rot. Bonds8

About N-cyclopropyl-4-(propylaminomethyl)-N-(thiophen-2-ylmethyl)pyridin-2-amine

N-cyclopropyl-4-(propylaminomethyl)-N-(thiophen-2-ylmethyl)pyridin-2-amine (PubChem CID 62289080) has the molecular formula C17H23N3S and a molecular weight of 301.46 g/mol. Its IUPAC name is N-cyclopropyl-4-(propylaminomethyl)-N-(thiophen-2-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-cyclopropyl-4-(propylaminomethyl)-N-(thiophen-2-ylmethyl)pyridin-2-amine
PubChem CID62289080
Molecular FormulaC17H23N3S
Molecular Weight301.46 g/mol
Exact Mass301.16
IUPAC NameN-cyclopropyl-4-(propylaminomethyl)-N-(thiophen-2-ylmethyl)pyridin-2-amine
SMILESCCCNCc1ccnc(N(Cc2cccs2)C2CC2)c1
InChIInChI=1S/C17H23N3S/c1-2-8-18-12-14-7-9-19-17(11-14)20(15-5-6-15)13-16-4-3-10-21-16/h3-4,7,9-11,15,18H,2,5-6,8,12-13H2,1H3
InChIKeyOPMWXTGKCDGQPD-UHFFFAOYSA-N
XLogP3.81
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.46
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-N-cyclopropyl-6-N-propyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
CID 80808585
N-cyclopropyl-5-(propylaminomethyl)-N-(thiophen-2-ylmethyl)-1,3-thiazol-2-amine
CID 62752585
N-cyclopropyl-5-(ethylaminomethyl)-3-methyl-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 80631053
N-cyclopropyl-N-(cyclopropylmethyl)-4-(ethylaminomethyl)pyridin-2-amine
CID 64520876
N-cyclopropyl-4-(ethylaminomethyl)-N-(thiophen-2-ylmethyl)aniline
CID 61449230
4-N-cyclopropyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine
CID 80808750
4-N-cyclopropyl-5-methyl-6-N-propyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
CID 80778927
N-benzyl-N-methyl-4-(propylaminomethyl)pyridin-2-amine
CID 62285114
N-cyclopentyl-N-ethyl-4-(ethylaminomethyl)pyridin-2-amine
CID 62280816
2-[[cyclopropyl(thiophen-2-ylmethyl)amino]methyl]-N-propylpyridin-4-amine
CID 79245841
N-[[4-[[methyl(thiophen-2-ylmethyl)amino]methyl]phenyl]methyl]propan-1-amine
CID 62420227
5-chloro-4-(chloromethyl)-N-cyclopropyl-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 114920935

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-(propylaminomethyl)-N-(thiophen-2-ylmethyl)pyridin-2-amine?
The IUPAC name of N-cyclopropyl-4-(propylaminomethyl)-N-(thiophen-2-ylmethyl)pyridin-2-amine (CID 62289080) is N-cyclopropyl-4-(propylaminomethyl)-N-(thiophen-2-ylmethyl)pyridin-2-amine.
What is the SMILES notation for N-cyclopropyl-4-(propylaminomethyl)-N-(thiophen-2-ylmethyl)pyridin-2-amine?
The canonical SMILES for N-cyclopropyl-4-(propylaminomethyl)-N-(thiophen-2-ylmethyl)pyridin-2-amine is CCCNCc1ccnc(N(Cc2cccs2)C2CC2)c1.
What is the InChIKey of N-cyclopropyl-4-(propylaminomethyl)-N-(thiophen-2-ylmethyl)pyridin-2-amine?
The InChIKey is OPMWXTGKCDGQPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3S/c1-2-8-18-12-14-7-9-19-17(11-14)20(15-5-6-15)13-16-4-3-10-21-16/h3-4,7,9-11,15,18H,2,5-6,8,12-13H2,1H3.
What are the key properties of N-cyclopropyl-4-(propylaminomethyl)-N-(thiophen-2-ylmethyl)pyridin-2-amine?
N-cyclopropyl-4-(propylaminomethyl)-N-(thiophen-2-ylmethyl)pyridin-2-amine has a molecular weight of 301.46 g/mol, XLogP of 3.81, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-(propylaminomethyl)-N-(thiophen-2-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 62289080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).