N-cyclopropyl-N-ethyl-4,6-dimethyl-3-[(2-methylpropylamino)methyl]pyridin-2-amine

C17H29N3 — CID 62279375

IUPACN-cyclopropyl-N-ethyl-4,6-dimethyl-3-[(2-methylpropylamino)methyl]pyridin-2-amine
SMILESCCN(c1nc(C)cc(C)c1CNCC(C)C)C1CC1
InChIInChI=1S/C17H29N3/c1-6-20(15-7-8-15)17-16(11-18-10-12(2)3)13(4)9-14(5)19-17/h9,12,15,18H,6-8,10-11H2,1-5H3
InChIKeyKSPFKFIDNLMZDM-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.43
Rot. Bonds7

About N-cyclopropyl-N-ethyl-4,6-dimethyl-3-[(2-methylpropylamino)methyl]pyridin-2-amine

N-cyclopropyl-N-ethyl-4,6-dimethyl-3-[(2-methylpropylamino)methyl]pyridin-2-amine (PubChem CID 62279375) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is N-cyclopropyl-N-ethyl-4,6-dimethyl-3-[(2-methylpropylamino)methyl]pyridin-2-amine.

Molecular Properties

Compound NameN-cyclopropyl-N-ethyl-4,6-dimethyl-3-[(2-methylpropylamino)methyl]pyridin-2-amine
PubChem CID62279375
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC NameN-cyclopropyl-N-ethyl-4,6-dimethyl-3-[(2-methylpropylamino)methyl]pyridin-2-amine
SMILESCCN(c1nc(C)cc(C)c1CNCC(C)C)C1CC1
InChIInChI=1S/C17H29N3/c1-6-20(15-7-8-15)17-16(11-18-10-12(2)3)13(4)9-14(5)19-17/h9,12,15,18H,6-8,10-11H2,1-5H3
InChIKeyKSPFKFIDNLMZDM-UHFFFAOYSA-N
XLogP3.43
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-ethyl-4,6-dimethyl-3-[(2-methylpropylamino)methyl]pyridin-2-amine?
The IUPAC name of N-cyclopropyl-N-ethyl-4,6-dimethyl-3-[(2-methylpropylamino)methyl]pyridin-2-amine (CID 62279375) is N-cyclopropyl-N-ethyl-4,6-dimethyl-3-[(2-methylpropylamino)methyl]pyridin-2-amine.
What is the SMILES notation for N-cyclopropyl-N-ethyl-4,6-dimethyl-3-[(2-methylpropylamino)methyl]pyridin-2-amine?
The canonical SMILES for N-cyclopropyl-N-ethyl-4,6-dimethyl-3-[(2-methylpropylamino)methyl]pyridin-2-amine is CCN(c1nc(C)cc(C)c1CNCC(C)C)C1CC1.
What is the InChIKey of N-cyclopropyl-N-ethyl-4,6-dimethyl-3-[(2-methylpropylamino)methyl]pyridin-2-amine?
The InChIKey is KSPFKFIDNLMZDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-6-20(15-7-8-15)17-16(11-18-10-12(2)3)13(4)9-14(5)19-17/h9,12,15,18H,6-8,10-11H2,1-5H3.
What are the key properties of N-cyclopropyl-N-ethyl-4,6-dimethyl-3-[(2-methylpropylamino)methyl]pyridin-2-amine?
N-cyclopropyl-N-ethyl-4,6-dimethyl-3-[(2-methylpropylamino)methyl]pyridin-2-amine has a molecular weight of 275.44 g/mol, XLogP of 3.43, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-ethyl-4,6-dimethyl-3-[(2-methylpropylamino)methyl]pyridin-2-amine is sourced from PubChem (CID 62279375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).