N-pentyl-N-propan-2-yl-2-(propylaminomethyl)pyridin-4-amine

C17H31N3 — CID 62292935

IUPACN-pentyl-N-propan-2-yl-2-(propylaminomethyl)pyridin-4-amine
SMILESCCCCCN(c1ccnc(CNCCC)c1)C(C)C
InChIInChI=1S/C17H31N3/c1-5-7-8-12-20(15(3)4)17-9-11-19-16(13-17)14-18-10-6-2/h9,11,13,15,18H,5-8,10,12,14H2,1-4H3
InChIKeyNPQULAMEOUTSHU-UHFFFAOYSA-N
MW277.46 g/mol
LogP3.99
Rot. Bonds10

About N-pentyl-N-propan-2-yl-2-(propylaminomethyl)pyridin-4-amine

N-pentyl-N-propan-2-yl-2-(propylaminomethyl)pyridin-4-amine (PubChem CID 62292935) has the molecular formula C17H31N3 and a molecular weight of 277.46 g/mol. Its IUPAC name is N-pentyl-N-propan-2-yl-2-(propylaminomethyl)pyridin-4-amine.

Molecular Properties

Compound NameN-pentyl-N-propan-2-yl-2-(propylaminomethyl)pyridin-4-amine
PubChem CID62292935
Molecular FormulaC17H31N3
Molecular Weight277.46 g/mol
Exact Mass277.25
IUPAC NameN-pentyl-N-propan-2-yl-2-(propylaminomethyl)pyridin-4-amine
SMILESCCCCCN(c1ccnc(CNCCC)c1)C(C)C
InChIInChI=1S/C17H31N3/c1-5-7-8-12-20(15(3)4)17-9-11-19-16(13-17)14-18-10-6-2/h9,11,13,15,18H,5-8,10,12,14H2,1-4H3
InChIKeyNPQULAMEOUTSHU-UHFFFAOYSA-N
XLogP3.99
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.46
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-pentyl-N-propan-2-yl-2-(propylaminomethyl)pyridin-4-amine?
The IUPAC name of N-pentyl-N-propan-2-yl-2-(propylaminomethyl)pyridin-4-amine (CID 62292935) is N-pentyl-N-propan-2-yl-2-(propylaminomethyl)pyridin-4-amine.
What is the SMILES notation for N-pentyl-N-propan-2-yl-2-(propylaminomethyl)pyridin-4-amine?
The canonical SMILES for N-pentyl-N-propan-2-yl-2-(propylaminomethyl)pyridin-4-amine is CCCCCN(c1ccnc(CNCCC)c1)C(C)C.
What is the InChIKey of N-pentyl-N-propan-2-yl-2-(propylaminomethyl)pyridin-4-amine?
The InChIKey is NPQULAMEOUTSHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3/c1-5-7-8-12-20(15(3)4)17-9-11-19-16(13-17)14-18-10-6-2/h9,11,13,15,18H,5-8,10,12,14H2,1-4H3.
What are the key properties of N-pentyl-N-propan-2-yl-2-(propylaminomethyl)pyridin-4-amine?
N-pentyl-N-propan-2-yl-2-(propylaminomethyl)pyridin-4-amine has a molecular weight of 277.46 g/mol, XLogP of 3.99, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentyl-N-propan-2-yl-2-(propylaminomethyl)pyridin-4-amine is sourced from PubChem (CID 62292935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).