6-[(1R)-1-aminoethyl]-N,N-bis(cyclopropylmethyl)pyridin-3-amine

C15H23N3 — CID 83127549

IUPAC6-[(1R)-1-aminoethyl]-N,N-bis(cyclopropylmethyl)pyridin-3-amine
SMILESC[C@@H](N)c1ccc(N(CC2CC2)CC2CC2)cn1
InChIInChI=1S/C15H23N3/c1-11(16)15-7-6-14(8-17-15)18(9-12-2-3-12)10-13-4-5-13/h6-8,11-13H,2-5,9-10,16H2,1H3/t11-/m1/s1
InChIKeyHWSHEPKNZSLEFI-LLVKDONJSA-N
MW245.37 g/mol
LogP2.73
Rot. Bonds6

About 6-[(1R)-1-aminoethyl]-N,N-bis(cyclopropylmethyl)pyridin-3-amine

6-[(1R)-1-aminoethyl]-N,N-bis(cyclopropylmethyl)pyridin-3-amine (PubChem CID 83127549) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is 6-[(1R)-1-aminoethyl]-N,N-bis(cyclopropylmethyl)pyridin-3-amine.

Molecular Properties

Compound Name6-[(1R)-1-aminoethyl]-N,N-bis(cyclopropylmethyl)pyridin-3-amine
PubChem CID83127549
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name6-[(1R)-1-aminoethyl]-N,N-bis(cyclopropylmethyl)pyridin-3-amine
SMILESC[C@@H](N)c1ccc(N(CC2CC2)CC2CC2)cn1
InChIInChI=1S/C15H23N3/c1-11(16)15-7-6-14(8-17-15)18(9-12-2-3-12)10-13-4-5-13/h6-8,11-13H,2-5,9-10,16H2,1H3/t11-/m1/s1
InChIKeyHWSHEPKNZSLEFI-LLVKDONJSA-N
XLogP2.73
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[(1R)-1-aminoethyl]-N,N-bis(cyclopropylmethyl)pyridin-3-amine?
The IUPAC name of 6-[(1R)-1-aminoethyl]-N,N-bis(cyclopropylmethyl)pyridin-3-amine (CID 83127549) is 6-[(1R)-1-aminoethyl]-N,N-bis(cyclopropylmethyl)pyridin-3-amine.
What is the SMILES notation for 6-[(1R)-1-aminoethyl]-N,N-bis(cyclopropylmethyl)pyridin-3-amine?
The canonical SMILES for 6-[(1R)-1-aminoethyl]-N,N-bis(cyclopropylmethyl)pyridin-3-amine is C[C@@H](N)c1ccc(N(CC2CC2)CC2CC2)cn1.
What is the InChIKey of 6-[(1R)-1-aminoethyl]-N,N-bis(cyclopropylmethyl)pyridin-3-amine?
The InChIKey is HWSHEPKNZSLEFI-LLVKDONJSA-N. The full InChI is InChI=1S/C15H23N3/c1-11(16)15-7-6-14(8-17-15)18(9-12-2-3-12)10-13-4-5-13/h6-8,11-13H,2-5,9-10,16H2,1H3/t11-/m1/s1.
What are the key properties of 6-[(1R)-1-aminoethyl]-N,N-bis(cyclopropylmethyl)pyridin-3-amine?
6-[(1R)-1-aminoethyl]-N,N-bis(cyclopropylmethyl)pyridin-3-amine has a molecular weight of 245.37 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1R)-1-aminoethyl]-N,N-bis(cyclopropylmethyl)pyridin-3-amine is sourced from PubChem (CID 83127549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).