N-tert-butyl-N-prop-2-enyl-6-[1-(propylamino)propyl]pyridin-3-amine

C18H31N3 — CID 115939787

IUPACN-tert-butyl-N-prop-2-enyl-6-[1-(propylamino)propyl]pyridin-3-amine
SMILESC=CCN(c1ccc(C(CC)NCCC)nc1)C(C)(C)C
InChIInChI=1S/C18H31N3/c1-7-12-19-16(9-3)17-11-10-15(14-20-17)21(13-8-2)18(4,5)6/h8,10-11,14,16,19H,2,7,9,12-13H2,1,3-6H3
InChIKeyUVJDKGLPSLKQPM-UHFFFAOYSA-N
MW289.47 g/mol
LogP4.32
Rot. Bonds8

About N-tert-butyl-N-prop-2-enyl-6-[1-(propylamino)propyl]pyridin-3-amine

N-tert-butyl-N-prop-2-enyl-6-[1-(propylamino)propyl]pyridin-3-amine (PubChem CID 115939787) has the molecular formula C18H31N3 and a molecular weight of 289.47 g/mol. Its IUPAC name is N-tert-butyl-N-prop-2-enyl-6-[1-(propylamino)propyl]pyridin-3-amine.

Molecular Properties

Compound NameN-tert-butyl-N-prop-2-enyl-6-[1-(propylamino)propyl]pyridin-3-amine
PubChem CID115939787
Molecular FormulaC18H31N3
Molecular Weight289.47 g/mol
Exact Mass289.25
IUPAC NameN-tert-butyl-N-prop-2-enyl-6-[1-(propylamino)propyl]pyridin-3-amine
SMILESC=CCN(c1ccc(C(CC)NCCC)nc1)C(C)(C)C
InChIInChI=1S/C18H31N3/c1-7-12-19-16(9-3)17-11-10-15(14-20-17)21(13-8-2)18(4,5)6/h8,10-11,14,16,19H,2,7,9,12-13H2,1,3-6H3
InChIKeyUVJDKGLPSLKQPM-UHFFFAOYSA-N
XLogP4.32
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.47
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-[1-(ethylamino)propyl]-N-prop-2-enyl-N-propylpyridin-3-amine
CID 112584559
N,N-dipropyl-6-[1-(propylamino)propyl]pyridin-3-amine
CID 115939175
N-cyclopropyl-N-methyl-6-[1-(propylamino)propyl]pyridin-3-amine
CID 112584130
N-methyl-N-(3-methylbutyl)-6-[1-(propylamino)propyl]pyridin-3-amine
CID 115939346
N-cyclopropyl-N-propyl-6-[1-(propylamino)propyl]pyridin-3-amine
CID 115939237
N-(cyclopropylmethyl)-N-methyl-6-[1-(propylamino)propyl]pyridin-3-amine
CID 112584248
6-[1-(ethylamino)propyl]-N,N-dimethylpyridin-3-amine
CID 112584103
6-[1-(methylamino)propyl]-N-propan-2-yl-N-prop-2-enylpyridin-3-amine
CID 112584561
3-[methyl-[6-[1-(propylamino)propyl]-3-pyridinyl]amino]propanenitrile
CID 112584090
1-(5-methoxy-2-pyridinyl)-N-propylpropan-1-amine
CID 112584694
2-[cyclopropyl-[6-[1-(propylamino)propyl]-3-pyridinyl]amino]ethanol
CID 115939423
1-(5-ethoxy-2-pyridinyl)-N-propylpropan-1-amine
CID 112584697

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N-prop-2-enyl-6-[1-(propylamino)propyl]pyridin-3-amine?
The IUPAC name of N-tert-butyl-N-prop-2-enyl-6-[1-(propylamino)propyl]pyridin-3-amine (CID 115939787) is N-tert-butyl-N-prop-2-enyl-6-[1-(propylamino)propyl]pyridin-3-amine.
What is the SMILES notation for N-tert-butyl-N-prop-2-enyl-6-[1-(propylamino)propyl]pyridin-3-amine?
The canonical SMILES for N-tert-butyl-N-prop-2-enyl-6-[1-(propylamino)propyl]pyridin-3-amine is C=CCN(c1ccc(C(CC)NCCC)nc1)C(C)(C)C.
What is the InChIKey of N-tert-butyl-N-prop-2-enyl-6-[1-(propylamino)propyl]pyridin-3-amine?
The InChIKey is UVJDKGLPSLKQPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3/c1-7-12-19-16(9-3)17-11-10-15(14-20-17)21(13-8-2)18(4,5)6/h8,10-11,14,16,19H,2,7,9,12-13H2,1,3-6H3.
What are the key properties of N-tert-butyl-N-prop-2-enyl-6-[1-(propylamino)propyl]pyridin-3-amine?
N-tert-butyl-N-prop-2-enyl-6-[1-(propylamino)propyl]pyridin-3-amine has a molecular weight of 289.47 g/mol, XLogP of 4.32, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N-prop-2-enyl-6-[1-(propylamino)propyl]pyridin-3-amine is sourced from PubChem (CID 115939787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).