N-propan-2-yl-4-(propylaminomethyl)-N-(thiophen-2-ylmethyl)pyridin-3-amine

C17H25N3S — CID 105073477

IUPACN-propan-2-yl-4-(propylaminomethyl)-N-(thiophen-2-ylmethyl)pyridin-3-amine
SMILESCCCNCc1ccncc1N(Cc1cccs1)C(C)C
InChIInChI=1S/C17H25N3S/c1-4-8-18-11-15-7-9-19-12-17(15)20(14(2)3)13-16-6-5-10-21-16/h5-7,9-10,12,14,18H,4,8,11,13H2,1-3H3
InChIKeyPZSDRMHMCPUGTJ-UHFFFAOYSA-N
MW303.47 g/mol
LogP4.06
Rot. Bonds8

About N-propan-2-yl-4-(propylaminomethyl)-N-(thiophen-2-ylmethyl)pyridin-3-amine

N-propan-2-yl-4-(propylaminomethyl)-N-(thiophen-2-ylmethyl)pyridin-3-amine (PubChem CID 105073477) has the molecular formula C17H25N3S and a molecular weight of 303.47 g/mol. Its IUPAC name is N-propan-2-yl-4-(propylaminomethyl)-N-(thiophen-2-ylmethyl)pyridin-3-amine.

Molecular Properties

Compound NameN-propan-2-yl-4-(propylaminomethyl)-N-(thiophen-2-ylmethyl)pyridin-3-amine
PubChem CID105073477
Molecular FormulaC17H25N3S
Molecular Weight303.47 g/mol
Exact Mass303.18
IUPAC NameN-propan-2-yl-4-(propylaminomethyl)-N-(thiophen-2-ylmethyl)pyridin-3-amine
SMILESCCCNCc1ccncc1N(Cc1cccs1)C(C)C
InChIInChI=1S/C17H25N3S/c1-4-8-18-11-15-7-9-19-12-17(15)20(14(2)3)13-16-6-5-10-21-16/h5-7,9-10,12,14,18H,4,8,11,13H2,1-3H3
InChIKeyPZSDRMHMCPUGTJ-UHFFFAOYSA-N
XLogP4.06
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.47
LogP ≤ 54.06
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

3-(ethylaminomethyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridin-4-amine
CID 81246160
4-(chloromethyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridin-3-amine
CID 105067372
N-methyl-3-(propylaminomethyl)-N-(thiophen-2-ylmethyl)pyridin-4-amine
CID 81249546
N-butan-2-yl-N-ethyl-4-(propylaminomethyl)pyridin-3-amine
CID 105072908
N-ethyl-2-(propylaminomethyl)-N-(thiophen-2-ylmethyl)aniline
CID 61437944
N-ethyl-4-(methylaminomethyl)-N-(thiophen-2-ylmethyl)pyridin-3-amine
CID 105073508
5-bromo-2-(ethylaminomethyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)aniline
CID 63551371
5-bromo-N-methyl-2-(propylaminomethyl)-N-(thiophen-2-ylmethyl)aniline
CID 43527761
N-cyclopropyl-4-(methylaminomethyl)-N-(thiophen-2-ylmethyl)pyridin-3-amine
CID 105073669
4-[(cyclopropylamino)methyl]-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)pyridin-3-amine
CID 105074166
N-[(3-fluorophenyl)methyl]-N-methyl-4-(propylaminomethyl)pyridin-3-amine
CID 105072825
5-methyl-4-N-propan-2-yl-6-N-propyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
CID 80780258

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-4-(propylaminomethyl)-N-(thiophen-2-ylmethyl)pyridin-3-amine?
The IUPAC name of N-propan-2-yl-4-(propylaminomethyl)-N-(thiophen-2-ylmethyl)pyridin-3-amine (CID 105073477) is N-propan-2-yl-4-(propylaminomethyl)-N-(thiophen-2-ylmethyl)pyridin-3-amine.
What is the SMILES notation for N-propan-2-yl-4-(propylaminomethyl)-N-(thiophen-2-ylmethyl)pyridin-3-amine?
The canonical SMILES for N-propan-2-yl-4-(propylaminomethyl)-N-(thiophen-2-ylmethyl)pyridin-3-amine is CCCNCc1ccncc1N(Cc1cccs1)C(C)C.
What is the InChIKey of N-propan-2-yl-4-(propylaminomethyl)-N-(thiophen-2-ylmethyl)pyridin-3-amine?
The InChIKey is PZSDRMHMCPUGTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3S/c1-4-8-18-11-15-7-9-19-12-17(15)20(14(2)3)13-16-6-5-10-21-16/h5-7,9-10,12,14,18H,4,8,11,13H2,1-3H3.
What are the key properties of N-propan-2-yl-4-(propylaminomethyl)-N-(thiophen-2-ylmethyl)pyridin-3-amine?
N-propan-2-yl-4-(propylaminomethyl)-N-(thiophen-2-ylmethyl)pyridin-3-amine has a molecular weight of 303.47 g/mol, XLogP of 4.06, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-4-(propylaminomethyl)-N-(thiophen-2-ylmethyl)pyridin-3-amine is sourced from PubChem (CID 105073477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).