N-(cyclopropylmethyl)-N-methyl-6-[1-(propylamino)ethyl]pyridin-3-amine

C15H25N3 — CID 83123154

IUPACN-(cyclopropylmethyl)-N-methyl-6-[1-(propylamino)ethyl]pyridin-3-amine
SMILESCCCNC(C)c1ccc(N(C)CC2CC2)cn1
InChIInChI=1S/C15H25N3/c1-4-9-16-12(2)15-8-7-14(10-17-15)18(3)11-13-5-6-13/h7-8,10,12-13,16H,4-6,9,11H2,1-3H3
InChIKeyGGCAILRKXQFILM-UHFFFAOYSA-N
MW247.39 g/mol
LogP2.99
Rot. Bonds7

About N-(cyclopropylmethyl)-N-methyl-6-[1-(propylamino)ethyl]pyridin-3-amine

N-(cyclopropylmethyl)-N-methyl-6-[1-(propylamino)ethyl]pyridin-3-amine (PubChem CID 83123154) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-methyl-6-[1-(propylamino)ethyl]pyridin-3-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-methyl-6-[1-(propylamino)ethyl]pyridin-3-amine
PubChem CID83123154
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC NameN-(cyclopropylmethyl)-N-methyl-6-[1-(propylamino)ethyl]pyridin-3-amine
SMILESCCCNC(C)c1ccc(N(C)CC2CC2)cn1
InChIInChI=1S/C15H25N3/c1-4-9-16-12(2)15-8-7-14(10-17-15)18(3)11-13-5-6-13/h7-8,10,12-13,16H,4-6,9,11H2,1-3H3
InChIKeyGGCAILRKXQFILM-UHFFFAOYSA-N
XLogP2.99
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-methyl-6-[1-(propylamino)ethyl]pyridin-3-amine?
The IUPAC name of N-(cyclopropylmethyl)-N-methyl-6-[1-(propylamino)ethyl]pyridin-3-amine (CID 83123154) is N-(cyclopropylmethyl)-N-methyl-6-[1-(propylamino)ethyl]pyridin-3-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-N-methyl-6-[1-(propylamino)ethyl]pyridin-3-amine?
The canonical SMILES for N-(cyclopropylmethyl)-N-methyl-6-[1-(propylamino)ethyl]pyridin-3-amine is CCCNC(C)c1ccc(N(C)CC2CC2)cn1.
What is the InChIKey of N-(cyclopropylmethyl)-N-methyl-6-[1-(propylamino)ethyl]pyridin-3-amine?
The InChIKey is GGCAILRKXQFILM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-4-9-16-12(2)15-8-7-14(10-17-15)18(3)11-13-5-6-13/h7-8,10,12-13,16H,4-6,9,11H2,1-3H3.
What are the key properties of N-(cyclopropylmethyl)-N-methyl-6-[1-(propylamino)ethyl]pyridin-3-amine?
N-(cyclopropylmethyl)-N-methyl-6-[1-(propylamino)ethyl]pyridin-3-amine has a molecular weight of 247.39 g/mol, XLogP of 2.99, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-methyl-6-[1-(propylamino)ethyl]pyridin-3-amine is sourced from PubChem (CID 83123154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).